Proteins > Potassium voltage-gated channel subfamily H member 2
Page last updated: 2024-08-07 17:03:38
Potassium voltage-gated channel subfamily H member 2
A voltage-gated potassium channel KCNH2 that is encoded in the genome of human. [PRO:CNA, UniProtKB:Q12809]
Synonyms
Eag homolog;
Ether-a-go-go-related gene potassium channel 1;
ERG-1;
Eag-related protein 1;
Ether-a-go-go-related protein 1;
H-ERG;
hERG-1;
hERG1;
Voltage-gated potassium channel subunit Kv11.1
Research
Bioassay Publications (369)
| Timeframe | Studies on this Protein(%) | All Drugs % |
|---|
| pre-1990 | 0 (0.00) | 18.7374 |
| 1990's | 3 (0.81) | 18.2507 |
| 2000's | 69 (18.70) | 29.6817 |
| 2010's | 228 (61.79) | 24.3611 |
| 2020's | 69 (18.70) | 2.80 |
Compounds (437)
Drugs with Inhibition Measurements
| Drug | Taxonomy | Measurement | Average (mM) | Bioassay(s) | Publication(s) |
|---|
| 3-(1-methylpyrrolidin-2-yl)pyridine | Homo sapiens (human) | IC50 | 245.4710 | 1 | 1 |
| 5,7-Dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-3-yl 3,4,5-trihydroxybenzoate | Homo sapiens (human) | IC50 | 6.0256 | 1 | 1 |
| 4-aminopyridine | Homo sapiens (human) | IC50 | 4,382.5800 | 2 | 2 |
| phenytoin | Homo sapiens (human) | IC50 | 193.2943 | 3 | 3 |
| 5-(n,n-hexamethylene)amiloride | Homo sapiens (human) | IC50 | 3.3000 | 1 | 1 |
| tacrine | Homo sapiens (human) | IC50 | 14.3120 | 1 | 1 |
| N-(2-aminoethyl)-5-chloro-1-naphthalenesulfonamide | Homo sapiens (human) | IC50 | 54,954,100,000.0000 | 1 | 1 |
| alfuzosin | Homo sapiens (human) | IC50 | 52.8116 | 3 | 3 |
| alosetron | Homo sapiens (human) | IC50 | 3.0680 | 5 | 6 |
| amiodarone | Homo sapiens (human) | IC50 | 6.2060 | 5 | 5 |
| amitriptyline | Homo sapiens (human) | IC50 | 7.9835 | 14 | 13 |
| amitriptyline | Homo sapiens (human) | Ki | 14.4106 | 1 | 0 |
| amsacrine | Homo sapiens (human) | IC50 | 0.2095 | 2 | 2 |
| 6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-10,11-diol | Homo sapiens (human) | IC50 | 2.3988 | 1 | 1 |
| astemizole | Homo sapiens (human) | IC50 | 0.2857 | 19 | 20 |
| astemizole | Homo sapiens (human) | Ki | 0.0098 | 5 | 5 |
| azelastine | Homo sapiens (human) | IC50 | 0.1000 | 4 | 4 |
| bepridil | Homo sapiens (human) | IC50 | 0.5184 | 10 | 10 |
| bepridil | Homo sapiens (human) | Ki | 0.3063 | 3 | 3 |
| berberine | Homo sapiens (human) | IC50 | 66.0693 | 1 | 1 |
| bisindolylmaleimide i | Homo sapiens (human) | IC50 | 1.0000 | 1 | 1 |
| buspirone | Homo sapiens (human) | IC50 | 3.9811 | 1 | 1 |
| verapamil | Homo sapiens (human) | IC50 | 0.3945 | 14 | 14 |
| carbamazepine | Homo sapiens (human) | IC50 | 104.7130 | 1 | 1 |
| carvedilol | Homo sapiens (human) | IC50 | 8.0787 | 6 | 5 |
| carvedilol | Homo sapiens (human) | Ki | 3.3749 | 1 | 0 |
| cetirizine | Homo sapiens (human) | IC50 | 43.3702 | 6 | 6 |
| chloroquine | Homo sapiens (human) | IC50 | 2.5030 | 4 | 4 |
| chloroquine | Homo sapiens (human) | Ki | 5.3311 | 2 | 2 |
| chlorpheniramine | Homo sapiens (human) | IC50 | 16.9344 | 5 | 5 |
| chlorpromazine | Homo sapiens (human) | IC50 | 1.9602 | 9 | 8 |
| chlorpromazine | Homo sapiens (human) | Ki | 4.7743 | 1 | 0 |
| cifenline | Homo sapiens (human) | IC50 | 15.7000 | 2 | 2 |
| ciprofloxacin | Homo sapiens (human) | IC50 | 702.2817 | 7 | 7 |
| ciprofloxacin | Homo sapiens (human) | Ki | 100.0000 | 1 | 1 |
| cisapride | Homo sapiens (human) | IC50 | 0.2536 | 20 | 20 |
| cisapride | Homo sapiens (human) | Ki | 0.1394 | 1 | 0 |
| citalopram | Homo sapiens (human) | IC50 | 5.4349 | 6 | 5 |
| citalopram | Homo sapiens (human) | Ki | 13.6618 | 1 | 0 |
| clebopride | Homo sapiens (human) | IC50 | 0.6026 | 1 | 1 |
| clofilium | Homo sapiens (human) | IC50 | 0.0813 | 2 | 2 |
| clotrimazole | Homo sapiens (human) | IC50 | 3.0200 | 1 | 1 |
| cocaine | Homo sapiens (human) | IC50 | 7.2444 | 1 | 1 |
| cyproheptadine | Homo sapiens (human) | IC50 | 17.0491 | 1 | 0 |
| cyproheptadine | Homo sapiens (human) | Ki | 13.9679 | 1 | 0 |
| desipramine | Homo sapiens (human) | IC50 | 4.7093 | 7 | 7 |
| desipramine | Homo sapiens (human) | Ki | 22.8166 | 1 | 0 |
| dicyclomine | Homo sapiens (human) | IC50 | 20.5909 | 1 | 0 |
| dicyclomine | Homo sapiens (human) | Ki | 16.8697 | 1 | 0 |
| dilacor xr | Homo sapiens (human) | IC50 | 17.3780 | 1 | 1 |
| diphenhydramine | Homo sapiens (human) | IC50 | 20.0626 | 6 | 5 |
| diphenhydramine | Homo sapiens (human) | Ki | 26.1013 | 1 | 0 |
| disopyramide | Homo sapiens (human) | IC50 | 75.3609 | 5 | 5 |
| domperidone | Homo sapiens (human) | IC50 | 0.1447 | 6 | 6 |
| donepezil | Homo sapiens (human) | IC50 | 3.7844 | 3 | 3 |
| doxazosin | Homo sapiens (human) | IC50 | 1.4022 | 2 | 1 |
| doxazosin | Homo sapiens (human) | Ki | 1.8151 | 1 | 0 |
| droperidol | Homo sapiens (human) | IC50 | 0.1318 | 9 | 8 |
| droperidol | Homo sapiens (human) | Ki | 0.7596 | 1 | 0 |
| e 4031 | Homo sapiens (human) | IC50 | 0.0381 | 17 | 17 |
| ebastine | Homo sapiens (human) | IC50 | 1.1520 | 3 | 2 |
| ebastine | Homo sapiens (human) | Ki | 0.0858 | 1 | 0 |
| epinastine | Homo sapiens (human) | IC50 | 97.0670 | 3 | 3 |
| fentanyl | Homo sapiens (human) | IC50 | 1.8197 | 1 | 1 |
| fexofenadine | Homo sapiens (human) | IC50 | 32.1338 | 10 | 10 |
| fexofenadine | Homo sapiens (human) | Ki | 23.0000 | 1 | 1 |
| flavoxate | Homo sapiens (human) | IC50 | 24.1069 | 1 | 0 |
| flavoxate | Homo sapiens (human) | Ki | 19.7503 | 1 | 0 |
| flecainide | Homo sapiens (human) | IC50 | 3.8904 | 4 | 4 |
| fluphenazine | Homo sapiens (human) | IC50 | 5.7058 | 1 | 0 |
| fluphenazine | Homo sapiens (human) | Ki | 4.6746 | 1 | 0 |
| fluoxetine | Homo sapiens (human) | IC50 | 3.7993 | 8 | 7 |
| fluoxetine | Homo sapiens (human) | Ki | 10.0660 | 1 | 0 |
| fluspirilene | Homo sapiens (human) | IC50 | 2.3000 | 1 | 1 |
| glyburide | Homo sapiens (human) | IC50 | 74.0655 | 4 | 4 |
| granisetron | Homo sapiens (human) | IC50 | 3.7702 | 5 | 5 |
| fasudil | Homo sapiens (human) | Ki | 25.1189 | 1 | 1 |
| haloperidol | Homo sapiens (human) | IC50 | 0.2634 | 15 | 16 |
| haloperidol | Homo sapiens (human) | Ki | 0.3160 | 2 | 2 |
| miltefosine | Homo sapiens (human) | IC50 | 100.0000 | 1 | 1 |
| hydroxychloroquine | Homo sapiens (human) | Ki | 2.5119 | 1 | 1 |
| lidocaine | Homo sapiens (human) | IC50 | 263.0270 | 2 | 2 |
| ifenprodil | Homo sapiens (human) | IC50 | 0.1000 | 1 | 1 |
| imipramine | Homo sapiens (human) | IC50 | 3.3913 | 8 | 8 |
| indomethacin | Homo sapiens (human) | IC50 | 301.9950 | 1 | 1 |
| avapro | Homo sapiens (human) | IC50 | 194.9840 | 1 | 1 |
| itraconazole | Homo sapiens (human) | IC50 | 40.0000 | 1 | 1 |
| ketoconazole | Homo sapiens (human) | IC50 | 1.9036 | 5 | 6 |
| lamotrigine | Homo sapiens (human) | IC50 | 282.3930 | 4 | 4 |
| lidoflazine | Homo sapiens (human) | IC50 | 0.0158 | 2 | 2 |
| lomefloxacin | Homo sapiens (human) | IC50 | 2,398.8300 | 1 | 1 |
| loperamide | Homo sapiens (human) | IC50 | 0.0330 | 1 | 1 |
| loratadine | Homo sapiens (human) | IC50 | 5.7309 | 7 | 6 |
| loratadine | Homo sapiens (human) | Ki | 32.0228 | 1 | 0 |
| mefloquine hydrochloride | Homo sapiens (human) | IC50 | 4.8356 | 4 | 4 |
| meperidine | Homo sapiens (human) | IC50 | 50.1041 | 3 | 3 |
| mepivacaine | Homo sapiens (human) | IC50 | 154.8820 | 1 | 1 |
| mesoridazine | Homo sapiens (human) | IC50 | 0.3588 | 5 | 6 |
| methadone | Homo sapiens (human) | IC50 | 9.7724 | 1 | 1 |
| mexiletine | Homo sapiens (human) | IC50 | 10.0000 | 2 | 2 |
| mitoxantrone | Homo sapiens (human) | IC50 | 3.5849 | 1 | 0 |
| mitoxantrone | Homo sapiens (human) | Ki | 2.9370 | 1 | 0 |
| moclobemide | Homo sapiens (human) | IC50 | 79.4328 | 1 | 1 |
| entinostat | Homo sapiens (human) | IC50 | 30.0000 | 2 | 2 |
| acecainide | Homo sapiens (human) | IC50 | 100.0000 | 1 | 1 |
| nifedipine | Homo sapiens (human) | IC50 | 125.9125 | 6 | 6 |
| nifekalant | Homo sapiens (human) | IC50 | 10.0000 | 1 | 1 |
| nisoldipine | Homo sapiens (human) | IC50 | 23.0000 | 1 | 1 |
| nitrendipine | Homo sapiens (human) | IC50 | 10.0000 | 5 | 5 |
| nomifensine | Homo sapiens (human) | IC50 | 27.0000 | 1 | 1 |
| norfluoxetine | Homo sapiens (human) | IC50 | 2.2909 | 1 | 1 |
| ofloxacin | Homo sapiens (human) | IC50 | 1,414.0320 | 5 | 5 |
| ondansetron | Homo sapiens (human) | IC50 | 0.7303 | 5 | 5 |
| orphenadrine | Homo sapiens (human) | IC50 | 0.8511 | 1 | 1 |
| papaverine | Homo sapiens (human) | IC50 | 7.2444 | 1 | 1 |
| pentamidine | Homo sapiens (human) | IC50 | 15.8054 | 4 | 3 |
| pentamidine | Homo sapiens (human) | Ki | 12.8802 | 1 | 0 |
| pentobarbital | Homo sapiens (human) | IC50 | 11,465.9130 | 2 | 2 |
| perhexiline | Homo sapiens (human) | IC50 | 7.7687 | 6 | 6 |
| perphenazine | Homo sapiens (human) | IC50 | 4.2160 | 1 | 0 |
| perphenazine | Homo sapiens (human) | Ki | 3.4541 | 1 | 0 |
| phenobarbital | Homo sapiens (human) | IC50 | 3,013.3000 | 3 | 3 |
| pilsicainide | Homo sapiens (human) | IC50 | 20.4174 | 2 | 2 |
| prazosin | Homo sapiens (human) | IC50 | 9.1492 | 3 | 2 |
| prazosin | Homo sapiens (human) | Ki | 19.8902 | 1 | 0 |
| procainamide | Homo sapiens (human) | IC50 | 138.0380 | 2 | 2 |
| prochlorperazine | Homo sapiens (human) | IC50 | 1.8481 | 1 | 0 |
| prochlorperazine | Homo sapiens (human) | Ki | 1.5141 | 1 | 0 |
| propafenone | Homo sapiens (human) | IC50 | 1.3733 | 3 | 3 |
| propranolol | Homo sapiens (human) | IC50 | 2.8280 | 1 | 1 |
| pyrilamine | Homo sapiens (human) | IC50 | 6.8591 | 2 | 1 |
| pyrilamine | Homo sapiens (human) | Ki | 10.3378 | 1 | 0 |
| quetiapine | Homo sapiens (human) | IC50 | 5.7772 | 2 | 2 |
| riluzole | Homo sapiens (human) | IC50 | 25.0000 | 1 | 1 |
| risperidone | Homo sapiens (human) | IC50 | 0.6303 | 18 | 18 |
| risperidone | Homo sapiens (human) | Ki | 2.1764 | 2 | 1 |
| vorinostat | Homo sapiens (human) | IC50 | 22.5805 | 4 | 4 |
| gatifloxacin | Homo sapiens (human) | IC50 | 129.1188 | 8 | 8 |
| terazosin | Homo sapiens (human) | IC50 | 17.7828 | 1 | 1 |
| terfenadine | Homo sapiens (human) | IC50 | 2.4544 | 24 | 25 |
| terfenadine | Homo sapiens (human) | Ki | 0.1513 | 3 | 3 |
| thioridazine | Homo sapiens (human) | IC50 | 0.2498 | 11 | 11 |
| thioridazine | Homo sapiens (human) | Ki | 1.0850 | 2 | 1 |
| trifluoperazine | Homo sapiens (human) | IC50 | 6.2260 | 1 | 0 |
| trifluoperazine | Homo sapiens (human) | Ki | 5.1008 | 1 | 0 |
| trimethoprim | Homo sapiens (human) | IC50 | 239.8830 | 3 | 3 |
| vesnarinone | Homo sapiens (human) | IC50 | 5.3224 | 4 | 4 |
| phentolamine | Homo sapiens (human) | IC50 | 20.0763 | 1 | 0 |
| phentolamine | Homo sapiens (human) | Ki | 16.4480 | 1 | 0 |
| chlorobutanol | Homo sapiens (human) | IC50 | 4,365.1600 | 1 | 1 |
| brompheniramine | Homo sapiens (human) | IC50 | 0.8912 | 1 | 1 |
| benzethonium chloride | Homo sapiens (human) | IC50 | 0.1085 | 1 | 0 |
| benzethonium chloride | Homo sapiens (human) | Ki | 0.0889 | 1 | 0 |
| prenylamine | Homo sapiens (human) | IC50 | 0.0650 | 1 | 1 |
| 5-methylpyrazole-3-carboxylic acid | Homo sapiens (human) | IC50 | 10.0000 | 1 | 1 |
| Berberine chloride (TN) | Homo sapiens (human) | IC50 | 3.1000 | 1 | 1 |
| erythromycin | Homo sapiens (human) | IC50 | 19.5195 | 2 | 2 |
| 2-amino-6-methoxybenzothiazole | Homo sapiens (human) | IC50 | 10.0000 | 1 | 1 |
| azacyclonol | Homo sapiens (human) | IC50 | 100.0000 | 2 | 2 |
| amiloride | Homo sapiens (human) | IC50 | 30.0000 | 1 | 1 |
| pimozide | Homo sapiens (human) | IC50 | 0.1520 | 13 | 14 |
| pimozide | Homo sapiens (human) | Ki | 0.0420 | 1 | 1 |
| terodiline | Homo sapiens (human) | IC50 | 3.1272 | 2 | 2 |
| clemastine | Homo sapiens (human) | IC50 | 0.3951 | 1 | 0 |
| clemastine | Homo sapiens (human) | Ki | 0.2411 | 2 | 1 |
| edifenphos | Homo sapiens (human) | IC50 | 50.1187 | 1 | 1 |
| benzonidazole | Homo sapiens (human) | IC50 | 100.0000 | 1 | 1 |
| halofantrine | Homo sapiens (human) | IC50 | 0.1622 | 11 | 11 |
| halofantrine | Homo sapiens (human) | Ki | 7.5000 | 1 | 1 |
| ciclopirox olamine | Homo sapiens (human) | IC50 | 40.0000 | 1 | 1 |
| diltiazem | Homo sapiens (human) | IC50 | 17.3557 | 7 | 7 |
| mefloquine | Homo sapiens (human) | IC50 | 8.8000 | 2 | 2 |
| mefloquine | Homo sapiens (human) | Ki | 1.9000 | 1 | 1 |
| paroxetine | Homo sapiens (human) | IC50 | 10.4293 | 1 | 0 |
| paroxetine | Homo sapiens (human) | Ki | 8.5445 | 1 | 0 |
| staurosporine | Homo sapiens (human) | IC50 | 90.4000 | 1 | 1 |
| lidamidine | Homo sapiens (human) | IC50 | 30.0000 | 1 | 1 |
| pergolide | Homo sapiens (human) | IC50 | 0.1202 | 1 | 1 |
| bicifadine | Homo sapiens (human) | IC50 | 44.6684 | 1 | 1 |
| daurisoline | Homo sapiens (human) | IC50 | 9.3500 | 2 | 2 |
| atomoxetine | Homo sapiens (human) | IC50 | 2.1000 | 1 | 1 |
| nitrogenase stabilizing-protective protein, bacteria | Homo sapiens (human) | IC50 | 25.0000 | 1 | 1 |
| ranolazine | Homo sapiens (human) | IC50 | 12.7000 | 2 | 1 |
| sertindole | Homo sapiens (human) | IC50 | 0.0104 | 14 | 15 |
| sparfloxacin | Homo sapiens (human) | IC50 | 66.8953 | 14 | 13 |
| sparfloxacin | Homo sapiens (human) | Ki | 38.6194 | 1 | 0 |
| mibefradil | Homo sapiens (human) | IC50 | 1.4543 | 17 | 17 |
| mibefradil | Homo sapiens (human) | Ki | 0.2715 | 2 | 2 |
| ibutilide | Homo sapiens (human) | IC50 | 0.0130 | 5 | 5 |
| fananserin | Homo sapiens (human) | Ki | 0.2000 | 2 | 2 |
| aripiprazole | Homo sapiens (human) | IC50 | 1.8572 | 6 | 6 |
| aripiprazole | Homo sapiens (human) | Ki | 0.8793 | 3 | 3 |
| duloxetine | Homo sapiens (human) | IC50 | 7.1071 | 3 | 3 |
| ziprasidone | Homo sapiens (human) | IC50 | 0.2301 | 8 | 9 |
| verapamil hydrochloride | Homo sapiens (human) | IC50 | 0.3800 | 2 | 2 |
| nelfinavir | Homo sapiens (human) | IC50 | 10,712.1921 | 3 | 3 |
| bupivacaine hydrochloride | Homo sapiens (human) | IC50 | 256.0000 | 5 | 5 |
| tedisamil | Homo sapiens (human) | IC50 | 2.5000 | 1 | 1 |
| mizolastine | Homo sapiens (human) | IC50 | 0.4058 | 8 | 8 |
| mizolastine | Homo sapiens (human) | Ki | 7.2580 | 1 | 1 |
| terikalant | Homo sapiens (human) | IC50 | 0.1959 | 4 | 4 |
| sertraline | Homo sapiens (human) | IC50 | 8.3173 | 1 | 0 |
| sertraline | Homo sapiens (human) | Ki | 6.8141 | 1 | 0 |
| oxiperomide | Homo sapiens (human) | IC50 | 2.1000 | 1 | 1 |
| budipine | Homo sapiens (human) | IC50 | 0.8511 | 1 | 1 |
| nebivolol | Homo sapiens (human) | IC50 | 4.3118 | 3 | 3 |
| uk 68798 | Homo sapiens (human) | IC50 | 2.4537 | 19 | 19 |
| uk 68798 | Homo sapiens (human) | Ki | 0.0070 | 2 | 2 |
| premafloxacin | Homo sapiens (human) | Ki | 150.0000 | 1 | 1 |
| voriconazole | Homo sapiens (human) | IC50 | 40.0000 | 1 | 1 |
| grepafloxacin | Homo sapiens (human) | IC50 | 60.9724 | 10 | 10 |
| doripenem | Homo sapiens (human) | IC50 | 6,477.5750 | 2 | 2 |
| dauricine | Homo sapiens (human) | IC50 | 16.0000 | 1 | 1 |
| 4'-methoxyflavone | Homo sapiens (human) | IC50 | 21.9000 | 1 | 0 |
| rosiglitazone | Homo sapiens (human) | IC50 | 29.5000 | 1 | 1 |
| clarithromycin | Homo sapiens (human) | IC50 | 51.1533 | 5 | 5 |
| nicotine | Homo sapiens (human) | IC50 | 245.0807 | 5 | 6 |
| levobupivacaine | Homo sapiens (human) | IC50 | 20.8930 | 1 | 1 |
| lopinavir | Homo sapiens (human) | IC50 | 8.5114 | 1 | 1 |
| 1-(2-thiazolylazo)-2-naphthol | Homo sapiens (human) | IC50 | 0.3100 | 1 | 1 |
| sr141716 | Homo sapiens (human) | IC50 | 3.7950 | 2 | 2 |
| ecgonine methyl ester | Homo sapiens (human) | IC50 | 416.8690 | 1 | 1 |
| 5-hydroxypropafenone | Homo sapiens (human) | IC50 | 40.0000 | 1 | 1 |
| tadalafil | Homo sapiens (human) | IC50 | 101.3314 | 4 | 4 |
| 2-ethylidene-1,5-dimethyl-3,3-diphenylpyrrolidine | Homo sapiens (human) | IC50 | 50.1187 | 1 | 1 |
| paliperidone | Homo sapiens (human) | IC50 | 1.2344 | 5 | 6 |
| levobupivacaine hydrochloride | Homo sapiens (human) | IC50 | 280.0000 | 5 | 5 |
| anhydroecgonine methyl ester | Homo sapiens (human) | IC50 | 169.8240 | 1 | 1 |
| mosapride | Homo sapiens (human) | IC50 | 4.7932 | 2 | 2 |
| desethylamodiaquine | Homo sapiens (human) | IC50 | 9.5000 | 1 | 1 |
| tecastemizole | Homo sapiens (human) | IC50 | 0.0280 | 6 | 6 |
| desvenlafaxine | Homo sapiens (human) | IC50 | 10,101.8945 | 2 | 2 |
| n-depropylpropafenone | Homo sapiens (human) | IC50 | 44.0000 | 1 | 1 |
| atazanavir | Homo sapiens (human) | IC50 | 30.0000 | 1 | 1 |
| levofloxacin | Homo sapiens (human) | IC50 | 2,145.1033 | 10 | 10 |
| levofloxacin | Homo sapiens (human) | Ki | 150.0000 | 1 | 1 |
| moxifloxacin | Homo sapiens (human) | IC50 | 137.0683 | 12 | 12 |
| solifenacin | Homo sapiens (human) | IC50 | 0.9180 | 2 | 2 |
| desmethylastemizole | Homo sapiens (human) | IC50 | 0.0010 | 3 | 3 |
| telbivudine | Homo sapiens (human) | IC50 | 81,750.4350 | 2 | 2 |
| mdl 74156 | Homo sapiens (human) | IC50 | 8.9555 | 2 | 2 |
| 1-(2,6-dimethylphenoxy)-2-(3,4-dimethoxyphenylethylamino)propane | Homo sapiens (human) | IC50 | 6.1000 | 1 | 1 |
| ly 97241 | Homo sapiens (human) | IC50 | 0.0061 | 2 | 2 |
| erlotinib | Homo sapiens (human) | IC50 | 25.0000 | 1 | 1 |
| emd 60263 | Homo sapiens (human) | IC50 | 6.6069 | 1 | 1 |
| etravirine | Homo sapiens (human) | IC50 | 193.9050 | 3 | 3 |
| ly 97119 | Homo sapiens (human) | IC50 | 0.0236 | 2 | 2 |
| ly 97119 | Homo sapiens (human) | Ki | 0.0196 | 2 | 2 |
| dronedarone | Homo sapiens (human) | IC50 | 1.6581 | 2 | 2 |
| lapatinib | Homo sapiens (human) | IC50 | 33,543.9857 | 3 | 3 |
| albaconazole | Homo sapiens (human) | IC50 | 34.8600 | 1 | 1 |
| darunavir | Homo sapiens (human) | IC50 | 107.1949 | 3 | 3 |
| deferasirox | Homo sapiens (human) | IC50 | 3,981.0700 | 1 | 1 |
| senicapoc | Homo sapiens (human) | IC50 | 1.0000 | 1 | 1 |
| lacosamide | Homo sapiens (human) | IC50 | 50,118.7000 | 1 | 1 |
| cp 101,606 | Homo sapiens (human) | IC50 | 10.0000 | 1 | 1 |
| bardoxolone methyl | Homo sapiens (human) | IC50 | 200.0000 | 1 | 1 |
| oxytocin | Homo sapiens (human) | Ki | 0.0610 | 1 | 1 |
| ouabain | Homo sapiens (human) | IC50 | 5.8000 | 1 | 1 |
| quinidine | Homo sapiens (human) | IC50 | 0.7882 | 5 | 5 |
| mefloquine hydrochloride | Homo sapiens (human) | IC50 | 5.6234 | 1 | 1 |
| tolterodine | Homo sapiens (human) | IC50 | 0.0785 | 4 | 4 |
| vinpocetine | Homo sapiens (human) | IC50 | 0.0390 | 1 | 1 |
| darifenacin | Homo sapiens (human) | IC50 | 0.8322 | 2 | 2 |
| cocaine | Homo sapiens (human) | IC50 | 5.5410 | 6 | 6 |
| y 27632 | Homo sapiens (human) | Ki | 79.4328 | 1 | 1 |
| pa 824 | Homo sapiens (human) | IC50 | 30.0000 | 1 | 1 |
| wr-142,490 | Homo sapiens (human) | IC50 | 13.6000 | 1 | 1 |
| ravuconazole | Homo sapiens (human) | IC50 | 10.3700 | 1 | 1 |
| bay 57-1293 | Homo sapiens (human) | IC50 | 160.0000 | 1 | 1 |
| bms-488043 | Homo sapiens (human) | IC50 | 80.0000 | 1 | 1 |
| artemisin | Homo sapiens (human) | IC50 | 109.6480 | 1 | 1 |
| s 1033 | Homo sapiens (human) | IC50 | 21.2239 | 3 | 3 |
| xe 991, anthracenone | Homo sapiens (human) | IC50 | 32.0000 | 1 | 1 |
| flunarizine | Homo sapiens (human) | IC50 | 0.6058 | 1 | 0 |
| flunarizine | Homo sapiens (human) | Ki | 0.4963 | 1 | 0 |
| vu0405601 | Homo sapiens (human) | Ki | 0.0048 | 1 | 1 |
| zuclomiphene | Homo sapiens (human) | IC50 | 0.1820 | 1 | 1 |
| tamoxifen | Homo sapiens (human) | IC50 | 1.2759 | 2 | 1 |
| tamoxifen | Homo sapiens (human) | Ki | 0.7922 | 1 | 0 |
| 6-Chlorobenzo[d]isoxazol-3-ol | Homo sapiens (human) | IC50 | 10.0000 | 1 | 1 |
| hmr 3647 | Homo sapiens (human) | IC50 | 40.0000 | 1 | 1 |
| maraviroc | Homo sapiens (human) | IC50 | 81.7122 | 3 | 3 |
| dolasetron | Homo sapiens (human) | IC50 | 9.0115 | 6 | 6 |
| almokalant | Homo sapiens (human) | IC50 | 0.1275 | 2 | 2 |
| glyceryl nonivamide | Homo sapiens (human) | IC50 | 0.1000 | 1 | 1 |
| dasatinib | Homo sapiens (human) | IC50 | 32.5966 | 4 | 3 |
| ha 1100 | Homo sapiens (human) | Ki | 7.9433 | 1 | 1 |
| benzyltetrahydropalmatine | Homo sapiens (human) | IC50 | 14.0000 | 1 | 1 |
| sitagliptin | Homo sapiens (human) | IC50 | 553.2253 | 3 | 3 |
| acacetin | Homo sapiens (human) | IC50 | 32.4000 | 1 | 0 |
| amphotericin b | Homo sapiens (human) | IC50 | 100.0000 | 1 | 1 |
| Rhynchophylline | Homo sapiens (human) | IC50 | 773.0000 | 1 | 1 |
| l 735821 | Homo sapiens (human) | IC50 | 1.5000 | 1 | 1 |
| codeine | Homo sapiens (human) | IC50 | 301.9950 | 1 | 1 |
| oxycodone | Homo sapiens (human) | IC50 | 10.0000 | 1 | 1 |
| gw 5638 | Homo sapiens (human) | IC50 | 33.0000 | 1 | 1 |
| morphine | Homo sapiens (human) | IC50 | 1,000.0000 | 1 | 1 |
| 4-amino-5-chloro-N-[(3R,4S)-1-[3-(4-fluorophenoxy)propyl]-3-methoxy-4-piperidinyl]-2-methoxybenzamide | Homo sapiens (human) | IC50 | 1.7947 | 15 | 15 |
| sb 277011 | Homo sapiens (human) | IC50 | 1.6598 | 8 | 8 |
| sb 277011 | Homo sapiens (human) | Ki | 0.6310 | 1 | 1 |
| l 365260 | Homo sapiens (human) | IC50 | 5.0000 | 2 | 2 |
| mdl 100907 | Homo sapiens (human) | Ki | 1.1000 | 4 | 4 |
| silodosin | Homo sapiens (human) | IC50 | 13.7541 | 3 | 3 |
| fluvoxamine | Homo sapiens (human) | IC50 | 3.1000 | 1 | 1 |
| su 11248 | Homo sapiens (human) | IC50 | 3.8389 | 5 | 5 |
| bedaquiline | Homo sapiens (human) | IC50 | 4.8425 | 8 | 8 |
| alvimopan anhydrous | Homo sapiens (human) | IC50 | 31,945.0140 | 2 | 2 |
| bms 806 | Homo sapiens (human) | IC50 | 80.0000 | 1 | 1 |
| palonosetron | Homo sapiens (human) | IC50 | 2.9882 | 2 | 2 |
| lumefantrine | Homo sapiens (human) | IC50 | 5.5351 | 3 | 3 |
| everolimus | Homo sapiens (human) | IC50 | 5,714.8050 | 3 | 3 |
| laq824 | Homo sapiens (human) | IC50 | 10.6800 | 5 | 5 |
| rilpivirine | Homo sapiens (human) | IC50 | 0.5000 | 5 | 5 |
| opc-67683 | Homo sapiens (human) | IC50 | 30.0000 | 1 | 1 |
| ispinesib | Homo sapiens (human) | IC50 | 4.8100 | 1 | 1 |
| gsk5182 | Homo sapiens (human) | IC50 | 30.0000 | 2 | 2 |
| vilazodone | Homo sapiens (human) | IC50 | 5.5750 | 2 | 2 |
| nps2143 | Homo sapiens (human) | IC50 | 0.0985 | 2 | 2 |
| lu 208075 | Homo sapiens (human) | IC50 | 4,222.2335 | 2 | 2 |
| belinostat | Homo sapiens (human) | IC50 | 30.0000 | 2 | 2 |
| sun | Homo sapiens (human) | IC50 | 10.0000 | 1 | 1 |
| azimilide | Homo sapiens (human) | IC50 | 0.9032 | 7 | 7 |
| dov 216303 | Homo sapiens (human) | IC50 | 10.0000 | 1 | 1 |
| gw 7604 | Homo sapiens (human) | IC50 | 100.0000 | 1 | 1 |
| n-(2-amino-5-fluorobenzyl)-4-(n-(pyridine-3-acrylyl)aminomethyl)benzamide | Homo sapiens (human) | IC50 | 32.0000 | 1 | 1 |
| n-demethylloperamide | Homo sapiens (human) | IC50 | 0.2450 | 1 | 1 |
| ym 60828 | Homo sapiens (human) | Ki | 10.0000 | 1 | 1 |
| ave 0118 | Homo sapiens (human) | IC50 | 10.0000 | 1 | 1 |
| pd 144418 | Homo sapiens (human) | Ki | 10.0000 | 1 | 1 |
| benzonitrile, 4-(2-(2-((2r)-2-methyl-1-pyrrolidinyl)ethyl)-5-benzofuranyl)- | Homo sapiens (human) | IC50 | 1.6000 | 1 | 1 |
| benzonitrile, 4-(2-(2-((2r)-2-methyl-1-pyrrolidinyl)ethyl)-5-benzofuranyl)- | Homo sapiens (human) | Ki | 0.4000 | 1 | 1 |
| (2s,3s)-2-phenyl-3-((5-trifluoromethoxy-2-methoxy)benzylamino)piperidine | Homo sapiens (human) | Ki | 1.8000 | 1 | 1 |
| gw 803430 | Homo sapiens (human) | IC50 | 1.1700 | 1 | 1 |
| azd9272 | Homo sapiens (human) | IC50 | 33.0000 | 1 | 1 |
| l-454,560 | Homo sapiens (human) | IC50 | 49.9000 | 1 | 1 |
| mocetinostat | Homo sapiens (human) | IC50 | 30.0000 | 2 | 2 |
| k201 compound | Homo sapiens (human) | IC50 | 0.4630 | 1 | 0 |
| l 365260 | Homo sapiens (human) | IC50 | 10.0000 | 1 | 1 |
| hmr 1556 | Homo sapiens (human) | IC50 | 12.6000 | 1 | 1 |
| 10,10-bis((2-fluoro-4-pyridinyl)methyl)-9(10h)-anthracenone | Homo sapiens (human) | IC50 | 32.0000 | 1 | 1 |
| mcc-950 | Homo sapiens (human) | IC50 | 30.0000 | 1 | 1 |
| n-(4-tert-butylphenyl)-4-(3-chloropyridin-2-yl)tetrahydropyrazine-1(2h)-carboxamide | Homo sapiens (human) | IC50 | 1.0000 | 1 | 1 |
| l 706000 | Homo sapiens (human) | IC50 | 0.3457 | 2 | 2 |
| sb 743921 | Homo sapiens (human) | IC50 | 1.6000 | 1 | 1 |
| pitolisant | Homo sapiens (human) | IC50 | 1.7000 | 1 | 1 |
| incb3344 | Homo sapiens (human) | IC50 | 13.0000 | 1 | 1 |
| cp 945598 | Homo sapiens (human) | IC50 | 3.0000 | 1 | 1 |
| pimavanserin | Homo sapiens (human) | IC50 | 0.4100 | 1 | 1 |
| linagliptin | Homo sapiens (human) | IC50 | 30.0000 | 1 | 1 |
| betrixaban | Homo sapiens (human) | IC50 | 8.9000 | 2 | 2 |
| betrixaban | Homo sapiens (human) | Ki | 1.8000 | 1 | 1 |
| gsk 369796 | Homo sapiens (human) | IC50 | 7.5000 | 1 | 1 |
| msdc-0160 | Homo sapiens (human) | IC50 | 100.0000 | 1 | 1 |
| cj 033466 | Homo sapiens (human) | IC50 | 2.5704 | 1 | 1 |
| bms 599626 | Homo sapiens (human) | IC50 | 4.0000 | 1 | 1 |
| PB28 | Homo sapiens (human) | Ki | 1.0000 | 1 | 1 |
| 1-(2,4-difluorophenethyl)-4-(4-fluorophenylsulfonyl)piperidine | Homo sapiens (human) | Ki | 0.7100 | 5 | 5 |
| azd 7762 | Homo sapiens (human) | IC50 | 15.0000 | 2 | 2 |
| cariprazine | Homo sapiens (human) | IC50 | 20.7200 | 1 | 1 |
| n-(3-(4-chlorophenyl)-2-(3-cyanophenyl)-1-methylpropyl)-2-methyl-2-((5-(trifluoromethyl)pyridin-2-yl)oxy)propanamide | Homo sapiens (human) | IC50 | 14.2000 | 1 | 1 |
| brivanib | Homo sapiens (human) | IC50 | 18.0000 | 1 | 1 |
| amd 070 | Homo sapiens (human) | IC50 | 5.2000 | 1 | 1 |
| bms-626529 | Homo sapiens (human) | IC50 | 21.9000 | 1 | 1 |
| nu 7441 | Homo sapiens (human) | IC50 | 14.0000 | 1 | 1 |
| adl 5859 | Homo sapiens (human) | IC50 | 78.0000 | 1 | 1 |
| naluzotan | Homo sapiens (human) | IC50 | 3.8000 | 2 | 2 |
| naluzotan | Homo sapiens (human) | Ki | 2.0000 | 1 | 1 |
| basimglurant | Homo sapiens (human) | IC50 | 7.1000 | 1 | 1 |
| nvp-aew541 | Homo sapiens (human) | IC50 | 0.1300 | 2 | 2 |
| gosogliptin | Homo sapiens (human) | IC50 | 126.0000 | 1 | 1 |
| azd2932 | Homo sapiens (human) | IC50 | 137.0000 | 1 | 1 |
| anacetrapib | Homo sapiens (human) | IC50 | 30.0000 | 1 | 1 |
| carfilzomib | Homo sapiens (human) | IC50 | 92.1000 | 1 | 1 |
| e 2012 | Homo sapiens (human) | IC50 | 1.2000 | 1 | 1 |
| mk-0893 | Homo sapiens (human) | IC50 | 10.0000 | 1 | 1 |
| ro 4956371 | Homo sapiens (human) | IC50 | 1.0000 | 1 | 1 |
| fostamatinib | Homo sapiens (human) | IC50 | 1.0000 | 1 | 1 |
| jnj 28312141 | Homo sapiens (human) | IC50 | 10.0000 | 1 | 1 |
| 4-(3-cyclohexyl-5-(4-fluoro-phenyl)-3h-imidazol-4-yl)pyrimidin-2-ylamine | Homo sapiens (human) | IC50 | 27.3500 | 2 | 2 |
| mk-0249 | Homo sapiens (human) | IC50 | 10.0000 | 2 | 2 |
| ly2603618 | Homo sapiens (human) | IC50 | 28.1000 | 1 | 1 |
| ku-0060648 | Homo sapiens (human) | IC50 | 20.0000 | 1 | 1 |
| sar 1118 | Homo sapiens (human) | IC50 | 20.0000 | 1 | 1 |
| n-(3-fluorophenyl)-1-((4-(((3s)-3-methyl-1-piperazinyl)methyl)phenyl)acetyl)-4-piperidinamine | Homo sapiens (human) | IC50 | 15.8489 | 1 | 1 |
| azd 1152-hqpa | Homo sapiens (human) | IC50 | 30.0000 | 1 | 1 |
| a 803467 | Homo sapiens (human) | IC50 | 30.0000 | 1 | 1 |
| amodiaquine hydrochloride | Homo sapiens (human) | IC50 | 2.4000 | 1 | 1 |
| buparlisib | Homo sapiens (human) | IC50 | 30.0000 | 1 | 1 |
| pevonedistat | Homo sapiens (human) | IC50 | 40.0000 | 1 | 1 |
| ku 0063794 | Homo sapiens (human) | IC50 | 8.3000 | 1 | 1 |
| azd5438 | Homo sapiens (human) | IC50 | 3.2000 | 1 | 1 |
| gsk 1004723 | Homo sapiens (human) | IC50 | 0.0501 | 3 | 3 |
| gdc 0941 | Homo sapiens (human) | IC50 | 64.0000 | 2 | 2 |
| lu aa33810 | Homo sapiens (human) | IC50 | 10.0000 | 1 | 1 |
| yil 781 | Homo sapiens (human) | IC50 | 1.6109 | 1 | 2 |
| a 867744 | Homo sapiens (human) | IC50 | 20.0000 | 1 | 1 |
| a 867744 | Homo sapiens (human) | Ki | 10.0000 | 1 | 1 |
| azd3988 | Homo sapiens (human) | IC50 | 30.0000 | 1 | 1 |
| tegobuvir | Homo sapiens (human) | IC50 | 0.7943 | 2 | 2 |
| srt1720 | Homo sapiens (human) | IC50 | 10.0000 | 1 | 1 |
| pf-3893787 | Homo sapiens (human) | Ki | 3.4674 | 1 | 1 |
| gdc 0449 | Homo sapiens (human) | IC50 | 33.0000 | 1 | 1 |
| bms 754807 | Homo sapiens (human) | IC50 | 10.0000 | 1 | 1 |
| valbenazine | Homo sapiens (human) | IC50 | 1.7000 | 1 | 1 |
| sgi 1776 | Homo sapiens (human) | IC50 | 0.8728 | 4 | 4 |
| pci 32765 | Homo sapiens (human) | IC50 | 4.4000 | 2 | 2 |
| pci 32765 | Homo sapiens (human) | Ki | 1.1000 | 1 | 1 |
| ponatinib | Homo sapiens (human) | IC50 | 4.3850 | 2 | 2 |
| 2-(1-(2-allylphenoxy)ethyl)-4,5-dihydro-1h-imidazole | Homo sapiens (human) | IC50 | 16.9000 | 1 | 1 |
| cep 26401 | Homo sapiens (human) | IC50 | 13.8000 | 1 | 1 |
| pf 3246799 | Homo sapiens (human) | IC50 | 61.1500 | 2 | 2 |
| cabozantinib | Homo sapiens (human) | IC50 | 30.0000 | 1 | 1 |
| cct 137690 | Homo sapiens (human) | IC50 | 3.0000 | 2 | 2 |
| bms-790052 | Homo sapiens (human) | IC50 | 29.2000 | 1 | 1 |
| pf 3758309 | Homo sapiens (human) | IC50 | 42.1000 | 1 | 1 |
| azd2014 | Homo sapiens (human) | IC50 | 47.5000 | 1 | 1 |
| (5-(2,4-bis((3s)-3-methylmorpholin-4-yl)pyrido(2,3-d)pyrimidin-7-yl)-2-methoxyphenyl)methanol | Homo sapiens (human) | IC50 | 30.4000 | 1 | 1 |
| pf 8380 | Homo sapiens (human) | IC50 | 1.5900 | 2 | 2 |
| azd7687 | Homo sapiens (human) | IC50 | 32.0000 | 1 | 1 |
| GDC-0623 | Homo sapiens (human) | IC50 | 4.4000 | 1 | 1 |
| mk 2461 | Homo sapiens (human) | IC50 | 30.0000 | 1 | 1 |
| ddd 85646 | Homo sapiens (human) | IC50 | 28.0000 | 2 | 2 |
| sar 020106 | Homo sapiens (human) | IC50 | 5.0000 | 1 | 1 |
| e-52862 | Homo sapiens (human) | IC50 | 10.0000 | 4 | 4 |
| cort 108297 | Homo sapiens (human) | IC50 | 0.8000 | 1 | 1 |
| p505-15 | Homo sapiens (human) | IC50 | 9.0750 | 4 | 4 |
| nitd 609 | Homo sapiens (human) | IC50 | 30.1760 | 5 | 5 |
| bi 653048 bs h3po4 | Homo sapiens (human) | IC50 | 30.0000 | 1 | 1 |
| pf-04455242 | Homo sapiens (human) | IC50 | 2.4000 | 1 | 1 |
| mk-7246 | Homo sapiens (human) | Ki | 39.0000 | 1 | 1 |
| azd3839 | Homo sapiens (human) | IC50 | 4.8000 | 1 | 1 |
| abt-348 | Homo sapiens (human) | IC50 | 1.0000 | 1 | 1 |
| mk-3102 | Homo sapiens (human) | IC50 | 34.5000 | 2 | 2 |
| abemaciclib | Homo sapiens (human) | IC50 | 10.9000 | 1 | 1 |
| (3R)-4-[2-(1H-indol-4-yl)-6-(1-methylsulfonylcyclopropyl)-4-pyrimidinyl]-3-methylmorpholine | Homo sapiens (human) | IC50 | 50.0000 | 2 | 2 |
| gsk299423 | Homo sapiens (human) | IC50 | 1.2500 | 2 | 2 |
| gsk143 | Homo sapiens (human) | IC50 | 19.9526 | 1 | 1 |
| azd3514 | Homo sapiens (human) | IC50 | 100.0000 | 1 | 1 |
| rn486 | Homo sapiens (human) | IC50 | 1.4000 | 1 | 1 |
| AZD1979 | Homo sapiens (human) | IC50 | 22.0000 | 1 | 1 |
| alectinib | Homo sapiens (human) | IC50 | 30.0000 | 1 | 1 |
| glpg0634 | Homo sapiens (human) | IC50 | 90.0000 | 3 | 3 |
| kaf156 | Homo sapiens (human) | IC50 | 13.4000 | 2 | 2 |
| mk 5046 | Homo sapiens (human) | Ki | 8.0000 | 1 | 1 |
| n-dodecyl-l-lysine amide | Homo sapiens (human) | IC50 | 26.3027 | 1 | 1 |
| (r)-n-(4-(4-methoxyphenyl)thiazol-2-yl)-1-tosylpiperidine-2-carboxamide | Homo sapiens (human) | IC50 | 30.0000 | 1 | 1 |
| ml298 | Homo sapiens (human) | IC50 | 20.0000 | 1 | 1 |
| lesinurad | Homo sapiens (human) | IC50 | 30.0000 | 1 | 1 |
| cudc-907 | Homo sapiens (human) | IC50 | 79.5000 | 1 | 1 |
| raltegravir | Homo sapiens (human) | IC50 | 1,278.3495 | 4 | 4 |
| urmc-099 | Homo sapiens (human) | IC50 | 21.0000 | 1 | 1 |
| ew-7197 | Homo sapiens (human) | IC50 | 31.0400 | 1 | 1 |
| cep-28122 | Homo sapiens (human) | IC50 | 10.0000 | 1 | 1 |
| pbtz169 | Homo sapiens (human) | IC50 | 101.7000 | 1 | 1 |
| ceritinib | Homo sapiens (human) | IC50 | 31.0833 | 3 | 3 |
| gs-458967 | Homo sapiens (human) | IC50 | 10.0000 | 1 | 1 |
| cc-223 | Homo sapiens (human) | IC50 | 33.0000 | 1 | 1 |
| cc-115 | Homo sapiens (human) | IC50 | 33.0000 | 1 | 1 |
| azd1208 | Homo sapiens (human) | IC50 | 30.0000 | 1 | 1 |
| doravirine | Homo sapiens (human) | IC50 | 88.0000 | 1 | 1 |
| vx-970 | Homo sapiens (human) | IC50 | 3.0000 | 1 | 1 |
| trv130 | Homo sapiens (human) | IC50 | 5.8500 | 2 | 2 |
| debio 1347 | Homo sapiens (human) | IC50 | 6.9000 | 1 | 1 |
| ajmaline | Homo sapiens (human) | IC50 | 1.0400 | 1 | 1 |
| osimertinib | Homo sapiens (human) | IC50 | 8.3850 | 2 | 2 |
| ddd107498 | Homo sapiens (human) | IC50 | 16.0000 | 1 | 1 |
| onc201 | Homo sapiens (human) | IC50 | 3.7100 | 1 | 1 |
| PF-06446846 | Homo sapiens (human) | IC50 | 8.5000 | 1 | 1 |
| PF-06446846 | Homo sapiens (human) | Ki | 18.1000 | 1 | 1 |
| 3-chloro-5-(6-(5-fluoropyridin-2-yl)pyrimidin-4-yl)benzonitrile | Homo sapiens (human) | IC50 | 3.1623 | 1 | 1 |
| clozapine | Homo sapiens (human) | IC50 | 2.1791 | 11 | 11 |
| clozapine | Homo sapiens (human) | Ki | 9.9601 | 5 | 4 |
| sildenafil | Homo sapiens (human) | IC50 | 46.3597 | 10 | 11 |
| olanzapine | Homo sapiens (human) | IC50 | 11.2914 | 7 | 8 |
| olanzapine | Homo sapiens (human) | Ki | 36.0000 | 2 | 2 |
| vardenafil | Homo sapiens (human) | IC50 | 142.4279 | 3 | 3 |
| norclozapine | Homo sapiens (human) | IC50 | 9.9073 | 4 | 5 |
| xav939 | Homo sapiens (human) | IC50 | 30.0000 | 1 | 1 |
| nintedanib | Homo sapiens (human) | IC50 | 0.0026 | 1 | 1 |
| clozapine n-oxide | Homo sapiens (human) | IC50 | 133.3000 | 1 | 2 |
| desmethylolanzapine | Homo sapiens (human) | IC50 | 13.7786 | 3 | 4 |
| amg531 | Homo sapiens (human) | IC50 | 528.7370 | 3 | 3 |
| XL413 | Homo sapiens (human) | IC50 | 30.0000 | 1 | 1 |
| bmn 673 | Homo sapiens (human) | IC50 | 100.0000 | 1 | 1 |
| thiamet g | Homo sapiens (human) | IC50 | 30.0000 | 1 | 1 |
| as1940477 | Homo sapiens (human) | IC50 | 100.0000 | 1 | 1 |
Drugs with Activation Measurements
| Drug | Taxonomy | Measurement | Average (mM) | Bioassay(s) | Publication(s) |
|---|
| astemizole | Homo sapiens (human) | EC50 | 0.0019 | 1 | 1 |
| e 4031 | Homo sapiens (human) | EC50 | 0.0250 | 1 | 1 |
| ly 97119 | Homo sapiens (human) | Kd | 0.0160 | 1 | 1 |
| bedaquiline | Homo sapiens (human) | EC50 | 15.0000 | 1 | 1 |
| rpr260243 | Homo sapiens (human) | EC50 | 11.5000 | 2 | 2 |
Drugs with Other Measurements
Simulation of multiple ion channel block provides improved early prediction of compounds' clinical torsadogenic risk.Cardiovascular research, , Jul-01, Volume: 91, Issue:1, 2011
Predicting hERG activities of compounds from their 3D structures: development and evaluation of a global descriptors based QSAR model.European journal of medicinal chemistry, , Volume: 46, Issue:2, 2011
The pharmacophore hypotheses of I(Kr) potassium channel blockers: novel class III antiarrhythmic agents.Bioorganic & medicinal chemistry letters, , Sep-20, Volume: 14, Issue:18, 2004
Discovery of 2-substituted benzoxazole carboxamides as 5-HT3 receptor antagonists.Bioorganic & medicinal chemistry letters, , Nov-15, Volume: 20, Issue:22, 2010
Side chain flexibilities in the human ether-a-go-go related gene potassium channel (hERG) together with matched-pair binding studies suggest a new binding mode for channel blockers.Journal of medicinal chemistry, , Jul-23, Volume: 52, Issue:14, 2009
Support vector machines classification of hERG liabilities based on atom types.Bioorganic & medicinal chemistry, , Jun-01, Volume: 16, Issue:11, 2008
A discriminant model constructed by the support vector machine method for HERG potassium channel inhibitors.Bioorganic & medicinal chemistry letters, , Jun-02, Volume: 15, Issue:11, 2005
Prediction of hERG potassium channel affinity by traditional and hologram qSAR methods.Bioorganic & medicinal chemistry letters, , Aug-18, Volume: 13, Issue:16, 2003
Simulation of multiple ion channel block provides improved early prediction of compounds' clinical torsadogenic risk.Cardiovascular research, , Jul-01, Volume: 91, Issue:1, 2011
Predicting hERG activities of compounds from their 3D structures: development and evaluation of a global descriptors based QSAR model.European journal of medicinal chemistry, , Volume: 46, Issue:2, 2011
Support vector machines classification of hERG liabilities based on atom types.Bioorganic & medicinal chemistry, , Jun-01, Volume: 16, Issue:11, 2008
A discriminant model constructed by the support vector machine method for HERG potassium channel inhibitors.Bioorganic & medicinal chemistry letters, , Jun-02, Volume: 15, Issue:11, 2005
Prediction of hERG potassium channel affinity by traditional and hologram qSAR methods.Bioorganic & medicinal chemistry letters, , Aug-18, Volume: 13, Issue:16, 2003
[no title available]Journal of medicinal chemistry, , 06-09, Volume: 65, Issue:11, 2022
[no title available]Journal of medicinal chemistry, , 12-22, Volume: 65, Issue:24, 2022
N,N'-diaryl-bishydrazones in a biphenyl platform: Broad spectrum antifungal agents.European journal of medicinal chemistry, , Feb-15, Volume: 164, 2019
Discovery of a Series of 2'-α-Fluoro,2'-β-bromo-ribonucleosides and Their Phosphoramidate Prodrugs as Potent Pan-Genotypic Inhibitors of Hepatitis C Virus.Journal of medicinal chemistry, , 02-28, Volume: 62, Issue:4, 2019
Design and synthesis of 4-(2,3-dihydro-1H-benzo[d]pyrrolo[1,2-a]imidazol-7-yl)-N-(5-(piperazin-1-ylmethyl)pyridine-2-yl)pyrimidin-2-amine as a highly potent and selective cyclin-dependent kinases 4 and 6 inhibitors and the discovery of structure-activity Bioorganic & medicinal chemistry letters, , 03-01, Volume: 28, Issue:5, 2018
Simulation of multiple ion channel block provides improved early prediction of compounds' clinical torsadogenic risk.Cardiovascular research, , Jul-01, Volume: 91, Issue:1, 2011
Predicting hERG activities of compounds from their 3D structures: development and evaluation of a global descriptors based QSAR model.European journal of medicinal chemistry, , Volume: 46, Issue:2, 2011
GRIND-based 3D-QSAR and CoMFA to investigate topics dominated by hydrophobic interactions: the case of hERG K+ channel blockers.European journal of medicinal chemistry, , Volume: 44, Issue:5, 2009
Support vector machines classification of hERG liabilities based on atom types.Bioorganic & medicinal chemistry, , Jun-01, Volume: 16, Issue:11, 2008
A two-state homology model of the hERG K+ channel: application to ligand binding.Bioorganic & medicinal chemistry letters, , Mar-15, Volume: 15, Issue:6, 2005
A discriminant model constructed by the support vector machine method for HERG potassium channel inhibitors.Bioorganic & medicinal chemistry letters, , Jun-02, Volume: 15, Issue:11, 2005
Prediction of hERG potassium channel affinity by traditional and hologram qSAR methods.Bioorganic & medicinal chemistry letters, , Aug-18, Volume: 13, Issue:16, 2003
Toward a pharmacophore for drugs inducing the long QT syndrome: insights from a CoMFA study of HERG K(+) channel blockers.Journal of medicinal chemistry, , Aug-29, Volume: 45, Issue:18, 2002
[no title available],
[no title available]ACS medicinal chemistry letters, , Aug-12, Volume: 12, Issue:8, 2021
[no title available]Journal of medicinal chemistry, , 06-11, Volume: 63, Issue:11, 2020
[no title available]Journal of medicinal chemistry, , 02-22, Volume: 61, Issue:4, 2018
Astemizole analogues with reduced hERG inhibition as potent antimalarial compounds.Bioorganic & medicinal chemistry, , 12-15, Volume: 25, Issue:24, 2017
Astemizole Derivatives as Fluorescent Probes for hERG Potassium Channel Imaging.ACS medicinal chemistry letters, , Mar-10, Volume: 7, Issue:3, 2016
Design and synthesis of new potent anticancer benzothiazole amides and ureas featuring pyridylamide moiety and possessing dual B-Raf(V600E) and C-Raf kinase inhibitory activities.European journal of medicinal chemistry, , Jun-10, Volume: 115, 2016
Design, synthesis, and biological evaluation of (3R)-1,2,3,4-tetrahydro-7-hydroxy-N-[(1S)-1-[[(3R,4R)-4-(3-hydroxyphenyl)-3,4-dimethyl-1-piperidinyl]methyl]-2-methylpropyl]-3-isoquinolinecarboxamide (JDTic) analogues: in vitro pharmacology and ADME profilJournal of medicinal chemistry, , Sep-11, Volume: 57, Issue:17, 2014
Potent Hepatitis C Virus NS5A Inhibitors Containing a Benzidine Core.ACS medicinal chemistry letters, , Mar-13, Volume: 5, Issue:3, 2014
Cinnamides as selective small-molecule inhibitors of a cellular model of breast cancer stem cells.Bioorganic & medicinal chemistry letters, , Mar-15, Volume: 23, Issue:6, 2013
Isolation and structural elucidation of cyclic tetrapeptides from Onychocola sclerotica.Journal of natural products, , Jun-22, Volume: 75, Issue:6, 2012
Predicting hERG activities of compounds from their 3D structures: development and evaluation of a global descriptors based QSAR model.European journal of medicinal chemistry, , Volume: 46, Issue:2, 2011
GRIND-based 3D-QSAR and CoMFA to investigate topics dominated by hydrophobic interactions: the case of hERG K+ channel blockers.European journal of medicinal chemistry, , Volume: 44, Issue:5, 2009
Identification of a potent, selective, and orally active leukotriene a4 hydrolase inhibitor with anti-inflammatory activity.Journal of medicinal chemistry, , Jul-24, Volume: 51, Issue:14, 2008
Support vector machines classification of hERG liabilities based on atom types.Bioorganic & medicinal chemistry, , Jun-01, Volume: 16, Issue:11, 2008
Fluorescently labeled analogues of dofetilide as high-affinity fluorescence polarization ligands for the human ether-a-go-go-related gene (hERG) channel.Journal of medicinal chemistry, , Jun-28, Volume: 50, Issue:13, 2007
An integrated in silico 3D model-driven discovery of a novel, potent, and selective amidosulfonamide 5-HT1A agonist (PRX-00023) for the treatment of anxiety and depression.Journal of medicinal chemistry, , Jun-01, Volume: 49, Issue:11, 2006
A two-state homology model of the hERG K+ channel: application to ligand binding.Bioorganic & medicinal chemistry letters, , Mar-15, Volume: 15, Issue:6, 2005
A discriminant model constructed by the support vector machine method for HERG potassium channel inhibitors.Bioorganic & medicinal chemistry letters, , Jun-02, Volume: 15, Issue:11, 2005
The pharmacophore hypotheses of I(Kr) potassium channel blockers: novel class III antiarrhythmic agents.Bioorganic & medicinal chemistry letters, , Sep-20, Volume: 14, Issue:18, 2004
Understanding the structure-activity relationship of the human ether-a-go-go-related gene cardiac K+ channel. A model for bad behavior.Journal of medicinal chemistry, , May-22, Volume: 46, Issue:11, 2003
Prediction of hERG potassium channel affinity by traditional and hologram qSAR methods.Bioorganic & medicinal chemistry letters, , Aug-18, Volume: 13, Issue:16, 2003
Toward a pharmacophore for drugs inducing the long QT syndrome: insights from a CoMFA study of HERG K(+) channel blockers.Journal of medicinal chemistry, , Aug-29, Volume: 45, Issue:18, 2002
Identification of selective 8-(piperidin-4-yloxy)quinoline sulfone and sulfonamide histamine HBioorganic & medicinal chemistry letters, , 11-01, Volume: 27, Issue:21, 2017
The discovery of quinoline based single-ligand human HBioorganic & medicinal chemistry letters, , 12-15, Volume: 26, Issue:24, 2016
Synthesis and pharmacological investigation of azaphthalazinone human histamine H(1) receptor antagonists.Bioorganic & medicinal chemistry, , Oct-15, Volume: 20, Issue:20, 2012
The discovery of phthalazinone-based human H1 and H3 single-ligand antagonists suitable for intranasal administration for the treatment of allergic rhinitis.Journal of medicinal chemistry, , Apr-14, Volume: 54, Issue:7, 2011
[no title available]Journal of medicinal chemistry, , 06-11, Volume: 63, Issue:11, 2020
Predicting hERG activities of compounds from their 3D structures: development and evaluation of a global descriptors based QSAR model.European journal of medicinal chemistry, , Volume: 46, Issue:2, 2011
Simulation of multiple ion channel block provides improved early prediction of compounds' clinical torsadogenic risk.Cardiovascular research, , Jul-01, Volume: 91, Issue:1, 2011
GRIND-based 3D-QSAR and CoMFA to investigate topics dominated by hydrophobic interactions: the case of hERG K+ channel blockers.European journal of medicinal chemistry, , Volume: 44, Issue:5, 2009
Support vector machines classification of hERG liabilities based on atom types.Bioorganic & medicinal chemistry, , Jun-01, Volume: 16, Issue:11, 2008
Fluorescently labeled analogues of dofetilide as high-affinity fluorescence polarization ligands for the human ether-a-go-go-related gene (hERG) channel.Journal of medicinal chemistry, , Jun-28, Volume: 50, Issue:13, 2007
Ureas with histamine H3-antagonist receptor activity--a new scaffold discovered by lead-hopping from cinnamic acid amides.Bioorganic & medicinal chemistry letters, , Oct-15, Volume: 16, Issue:20, 2006
A two-state homology model of the hERG K+ channel: application to ligand binding.Bioorganic & medicinal chemistry letters, , Mar-15, Volume: 15, Issue:6, 2005
A discriminant model constructed by the support vector machine method for HERG potassium channel inhibitors.Bioorganic & medicinal chemistry letters, , Jun-02, Volume: 15, Issue:11, 2005
The pharmacophore hypotheses of I(Kr) potassium channel blockers: novel class III antiarrhythmic agents.Bioorganic & medicinal chemistry letters, , Sep-20, Volume: 14, Issue:18, 2004
Prediction of hERG potassium channel affinity by traditional and hologram qSAR methods.Bioorganic & medicinal chemistry letters, , Aug-18, Volume: 13, Issue:16, 2003
Toward a pharmacophore for drugs inducing the long QT syndrome: insights from a CoMFA study of HERG K(+) channel blockers.Journal of medicinal chemistry, , Aug-29, Volume: 45, Issue:18, 2002
[no title available]ACS medicinal chemistry letters, , Aug-12, Volume: 12, Issue:8, 2021
[no title available]Journal of medicinal chemistry, , 06-11, Volume: 63, Issue:11, 2020
[no title available]Bioorganic & medicinal chemistry, , 10-15, Volume: 25, Issue:20, 2017
Polypharmacology - foe or friend?Journal of medicinal chemistry, , Nov-27, Volume: 56, Issue:22, 2013
Simulation of multiple ion channel block provides improved early prediction of compounds' clinical torsadogenic risk.Cardiovascular research, , Jul-01, Volume: 91, Issue:1, 2011
Predicting hERG activities of compounds from their 3D structures: development and evaluation of a global descriptors based QSAR model.European journal of medicinal chemistry, , Volume: 46, Issue:2, 2011
GRIND-based 3D-QSAR and CoMFA to investigate topics dominated by hydrophobic interactions: the case of hERG K+ channel blockers.European journal of medicinal chemistry, , Volume: 44, Issue:5, 2009
Support vector machines classification of hERG liabilities based on atom types.Bioorganic & medicinal chemistry, , Jun-01, Volume: 16, Issue:11, 2008
A two-state homology model of the hERG K+ channel: application to ligand binding.Bioorganic & medicinal chemistry letters, , Mar-15, Volume: 15, Issue:6, 2005
A discriminant model constructed by the support vector machine method for HERG potassium channel inhibitors.Bioorganic & medicinal chemistry letters, , Jun-02, Volume: 15, Issue:11, 2005
The pharmacophore hypotheses of I(Kr) potassium channel blockers: novel class III antiarrhythmic agents.Bioorganic & medicinal chemistry letters, , Sep-20, Volume: 14, Issue:18, 2004
Prediction of hERG potassium channel affinity by traditional and hologram qSAR methods.Bioorganic & medicinal chemistry letters, , Aug-18, Volume: 13, Issue:16, 2003
Characterization of HERG potassium channel inhibition using CoMSiA 3D QSAR and homology modeling approaches.Bioorganic & medicinal chemistry letters, , May-19, Volume: 13, Issue:10, 2003
Toward a pharmacophore for drugs inducing the long QT syndrome: insights from a CoMFA study of HERG K(+) channel blockers.Journal of medicinal chemistry, , Aug-29, Volume: 45, Issue:18, 2002
Predicting hERG activities of compounds from their 3D structures: development and evaluation of a global descriptors based QSAR model.European journal of medicinal chemistry, , Volume: 46, Issue:2, 2011
Support vector machines classification of hERG liabilities based on atom types.Bioorganic & medicinal chemistry, , Jun-01, Volume: 16, Issue:11, 2008
A discriminant model constructed by the support vector machine method for HERG potassium channel inhibitors.Bioorganic & medicinal chemistry letters, , Jun-02, Volume: 15, Issue:11, 2005
The pharmacophore hypotheses of I(Kr) potassium channel blockers: novel class III antiarrhythmic agents.Bioorganic & medicinal chemistry letters, , Sep-20, Volume: 14, Issue:18, 2004
Prediction of hERG potassium channel affinity by traditional and hologram qSAR methods.Bioorganic & medicinal chemistry letters, , Aug-18, Volume: 13, Issue:16, 2003
[no title available],
Predicting hERG activities of compounds from their 3D structures: development and evaluation of a global descriptors based QSAR model.European journal of medicinal chemistry, , Volume: 46, Issue:2, 2011
Support vector machines classification of hERG liabilities based on atom types.Bioorganic & medicinal chemistry, , Jun-01, Volume: 16, Issue:11, 2008
Inhibitory effect of carboxylic acid group on hERG binding.Bioorganic & medicinal chemistry letters, , Nov-01, Volume: 16, Issue:21, 2006
A discriminant model constructed by the support vector machine method for HERG potassium channel inhibitors.Bioorganic & medicinal chemistry letters, , Jun-02, Volume: 15, Issue:11, 2005
The pharmacophore hypotheses of I(Kr) potassium channel blockers: novel class III antiarrhythmic agents.Bioorganic & medicinal chemistry letters, , Sep-20, Volume: 14, Issue:18, 2004
Prediction of hERG potassium channel affinity by traditional and hologram qSAR methods.Bioorganic & medicinal chemistry letters, , Aug-18, Volume: 13, Issue:16, 2003
A SARS-CoV-2 protein interaction map reveals targets for drug repurposing.Nature, , Volume: 583, Issue:7816, 2020
Synthesis of 3-azabicyclo[3.2.2]nonanes and their antiprotozoal activities.Bioorganic & medicinal chemistry letters, , Apr-01, Volume: 25, Issue:7, 2015
Identification and optimization of an aminoalcohol-carbazole series with antimalarial properties.ACS medicinal chemistry letters, , Nov-14, Volume: 4, Issue:11, 2013
Predicting hERG activities of compounds from their 3D structures: development and evaluation of a global descriptors based QSAR model.European journal of medicinal chemistry, , Volume: 46, Issue:2, 2011
Candidate selection and preclinical evaluation of N-tert-butyl isoquine (GSK369796), an affordable and effective 4-aminoquinoline antimalarial for the 21st century.Journal of medicinal chemistry, , Mar-12, Volume: 52, Issue:5, 2009
The pharmacophore hypotheses of I(Kr) potassium channel blockers: novel class III antiarrhythmic agents.Bioorganic & medicinal chemistry letters, , Sep-20, Volume: 14, Issue:18, 2004
Predicting hERG activities of compounds from their 3D structures: development and evaluation of a global descriptors based QSAR model.European journal of medicinal chemistry, , Volume: 46, Issue:2, 2011
Support vector machines classification of hERG liabilities based on atom types.Bioorganic & medicinal chemistry, , Jun-01, Volume: 16, Issue:11, 2008
A discriminant model constructed by the support vector machine method for HERG potassium channel inhibitors.Bioorganic & medicinal chemistry letters, , Jun-02, Volume: 15, Issue:11, 2005
The pharmacophore hypotheses of I(Kr) potassium channel blockers: novel class III antiarrhythmic agents.Bioorganic & medicinal chemistry letters, , Sep-20, Volume: 14, Issue:18, 2004
Prediction of hERG potassium channel affinity by traditional and hologram qSAR methods.Bioorganic & medicinal chemistry letters, , Aug-18, Volume: 13, Issue:16, 2003
Simulation of multiple ion channel block provides improved early prediction of compounds' clinical torsadogenic risk.Cardiovascular research, , Jul-01, Volume: 91, Issue:1, 2011
Predicting hERG activities of compounds from their 3D structures: development and evaluation of a global descriptors based QSAR model.European journal of medicinal chemistry, , Volume: 46, Issue:2, 2011
GRIND-based 3D-QSAR and CoMFA to investigate topics dominated by hydrophobic interactions: the case of hERG K+ channel blockers.European journal of medicinal chemistry, , Volume: 44, Issue:5, 2009
Support vector machines classification of hERG liabilities based on atom types.Bioorganic & medicinal chemistry, , Jun-01, Volume: 16, Issue:11, 2008
A two-state homology model of the hERG K+ channel: application to ligand binding.Bioorganic & medicinal chemistry letters, , Mar-15, Volume: 15, Issue:6, 2005
A discriminant model constructed by the support vector machine method for HERG potassium channel inhibitors.Bioorganic & medicinal chemistry letters, , Jun-02, Volume: 15, Issue:11, 2005
Prediction of hERG potassium channel affinity by traditional and hologram qSAR methods.Bioorganic & medicinal chemistry letters, , Aug-18, Volume: 13, Issue:16, 2003
Toward a pharmacophore for drugs inducing the long QT syndrome: insights from a CoMFA study of HERG K(+) channel blockers.Journal of medicinal chemistry, , Aug-29, Volume: 45, Issue:18, 2002
[no title available],
Simulation of multiple ion channel block provides improved early prediction of compounds' clinical torsadogenic risk.Cardiovascular research, , Jul-01, Volume: 91, Issue:1, 2011
The pharmacophore hypotheses of I(Kr) potassium channel blockers: novel class III antiarrhythmic agents.Bioorganic & medicinal chemistry letters, , Sep-20, Volume: 14, Issue:18, 2004
Discovery and structure-activity relationships of a novel oxazolidinone class of bacterial type II topoisomerase inhibitors.Bioorganic & medicinal chemistry letters, , 06-01, Volume: 65, 2022
Novel C-7 carbon substituted fourth generation fluoroquinolones targeting N. Gonorrhoeae infections.Bioorganic & medicinal chemistry letters, , 10-15, Volume: 30, Issue:20, 2020
The synergic modeling for the binding of fluoroquinolone antibiotics to the hERG potassium channel.Bioorganic & medicinal chemistry letters, , Jul-01, Volume: 23, Issue:13, 2013
Selenophene-containing inhibitors of type IIA bacterial topoisomerases.Journal of medicinal chemistry, , May-12, Volume: 54, Issue:9, 2011
Predicting hERG activities of compounds from their 3D structures: development and evaluation of a global descriptors based QSAR model.European journal of medicinal chemistry, , Volume: 46, Issue:2, 2011
Support vector machines classification of hERG liabilities based on atom types.Bioorganic & medicinal chemistry, , Jun-01, Volume: 16, Issue:11, 2008
The synthesis and biological evaluation of novel series of nitrile-containing fluoroquinolones as antibacterial agents.Bioorganic & medicinal chemistry letters, , Apr-15, Volume: 17, Issue:8, 2007
A discriminant model constructed by the support vector machine method for HERG potassium channel inhibitors.Bioorganic & medicinal chemistry letters, , Jun-02, Volume: 15, Issue:11, 2005
Prediction of hERG potassium channel affinity by traditional and hologram qSAR methods.Bioorganic & medicinal chemistry letters, , Aug-18, Volume: 13, Issue:16, 2003
Design, synthesis and biological evaluation of indolin-2-one-based derivatives as potent, selective and efficacious inhibitors of FMS-like tyrosine kinase3 (FLT3).European journal of medicinal chemistry, , Feb-15, Volume: 127, 2017
Design, synthesis and biological evaluation of isoquinoline-based derivatives as novel histone deacetylase inhibitors.Bioorganic & medicinal chemistry, , Sep-01, Volume: 23, Issue:17, 2015
Synthesis and Biological Evaluation of Novel Olean-28,13β-lactams as Potential Antiprostate Cancer Agents.Journal of medicinal chemistry, , Jun-11, Volume: 58, Issue:11, 2015
Design, synthesis, and structure-activity relationship studies of novel fused heterocycles-linked triazoles with good activity and water solubility.Journal of medicinal chemistry, , May-08, Volume: 57, Issue:9, 2014
Predicting hERG activities of compounds from their 3D structures: development and evaluation of a global descriptors based QSAR model.European journal of medicinal chemistry, , Volume: 46, Issue:2, 2011
Simulation of multiple ion channel block provides improved early prediction of compounds' clinical torsadogenic risk.Cardiovascular research, , Jul-01, Volume: 91, Issue:1, 2011
GRIND-based 3D-QSAR and CoMFA to investigate topics dominated by hydrophobic interactions: the case of hERG K+ channel blockers.European journal of medicinal chemistry, , Volume: 44, Issue:5, 2009
Side chain flexibilities in the human ether-a-go-go related gene potassium channel (hERG) together with matched-pair binding studies suggest a new binding mode for channel blockers.Journal of medicinal chemistry, , Jul-23, Volume: 52, Issue:14, 2009
Docking model of drug binding to the human ether-à-go-go potassium channel guided by tandem dimer mutant patch-clamp data: a synergic approach.Journal of medicinal chemistry, , Mar-26, Volume: 52, Issue:6, 2009
Support vector machines classification of hERG liabilities based on atom types.Bioorganic & medicinal chemistry, , Jun-01, Volume: 16, Issue:11, 2008
A two-state homology model of the hERG K+ channel: application to ligand binding.Bioorganic & medicinal chemistry letters, , Mar-15, Volume: 15, Issue:6, 2005
A discriminant model constructed by the support vector machine method for HERG potassium channel inhibitors.Bioorganic & medicinal chemistry letters, , Jun-02, Volume: 15, Issue:11, 2005
Understanding the structure-activity relationship of the human ether-a-go-go-related gene cardiac K+ channel. A model for bad behavior.Journal of medicinal chemistry, , May-22, Volume: 46, Issue:11, 2003
Prediction of hERG potassium channel affinity by traditional and hologram qSAR methods.Bioorganic & medicinal chemistry letters, , Aug-18, Volume: 13, Issue:16, 2003
Characterization of HERG potassium channel inhibition using CoMSiA 3D QSAR and homology modeling approaches.Bioorganic & medicinal chemistry letters, , May-19, Volume: 13, Issue:10, 2003
Toward a pharmacophore for drugs inducing the long QT syndrome: insights from a CoMFA study of HERG K(+) channel blockers.Journal of medicinal chemistry, , Aug-29, Volume: 45, Issue:18, 2002
[no title available],
Polypharmacology - foe or friend?Journal of medicinal chemistry, , Nov-27, Volume: 56, Issue:22, 2013
Predicting hERG activities of compounds from their 3D structures: development and evaluation of a global descriptors based QSAR model.European journal of medicinal chemistry, , Volume: 46, Issue:2, 2011
Support vector machines classification of hERG liabilities based on atom types.Bioorganic & medicinal chemistry, , Jun-01, Volume: 16, Issue:11, 2008
A discriminant model constructed by the support vector machine method for HERG potassium channel inhibitors.Bioorganic & medicinal chemistry letters, , Jun-02, Volume: 15, Issue:11, 2005
Prediction of hERG potassium channel affinity by traditional and hologram qSAR methods.Bioorganic & medicinal chemistry letters, , Aug-18, Volume: 13, Issue:16, 2003
[no title available],
Simulation of multiple ion channel block provides improved early prediction of compounds' clinical torsadogenic risk.Cardiovascular research, , Jul-01, Volume: 91, Issue:1, 2011
Predicting hERG activities of compounds from their 3D structures: development and evaluation of a global descriptors based QSAR model.European journal of medicinal chemistry, , Volume: 46, Issue:2, 2011
Side chain flexibilities in the human ether-a-go-go related gene potassium channel (hERG) together with matched-pair binding studies suggest a new binding mode for channel blockers.Journal of medicinal chemistry, , Jul-23, Volume: 52, Issue:14, 2009
Support vector machines classification of hERG liabilities based on atom types.Bioorganic & medicinal chemistry, , Jun-01, Volume: 16, Issue:11, 2008
A discriminant model constructed by the support vector machine method for HERG potassium channel inhibitors.Bioorganic & medicinal chemistry letters, , Jun-02, Volume: 15, Issue:11, 2005
Prediction of hERG potassium channel affinity by traditional and hologram qSAR methods.Bioorganic & medicinal chemistry letters, , Aug-18, Volume: 13, Issue:16, 2003
[no title available],
Simulation of multiple ion channel block provides improved early prediction of compounds' clinical torsadogenic risk.Cardiovascular research, , Jul-01, Volume: 91, Issue:1, 2011
Predicting hERG activities of compounds from their 3D structures: development and evaluation of a global descriptors based QSAR model.European journal of medicinal chemistry, , Volume: 46, Issue:2, 2011
Support vector machines classification of hERG liabilities based on atom types.Bioorganic & medicinal chemistry, , Jun-01, Volume: 16, Issue:11, 2008
A discriminant model constructed by the support vector machine method for HERG potassium channel inhibitors.Bioorganic & medicinal chemistry letters, , Jun-02, Volume: 15, Issue:11, 2005
Prediction of hERG potassium channel affinity by traditional and hologram qSAR methods.Bioorganic & medicinal chemistry letters, , Aug-18, Volume: 13, Issue:16, 2003
[no title available],
Predicting hERG activities of compounds from their 3D structures: development and evaluation of a global descriptors based QSAR model.European journal of medicinal chemistry, , Volume: 46, Issue:2, 2011
Support vector machines classification of hERG liabilities based on atom types.Bioorganic & medicinal chemistry, , Jun-01, Volume: 16, Issue:11, 2008
A discriminant model constructed by the support vector machine method for HERG potassium channel inhibitors.Bioorganic & medicinal chemistry letters, , Jun-02, Volume: 15, Issue:11, 2005
The pharmacophore hypotheses of I(Kr) potassium channel blockers: novel class III antiarrhythmic agents.Bioorganic & medicinal chemistry letters, , Sep-20, Volume: 14, Issue:18, 2004
Prediction of hERG potassium channel affinity by traditional and hologram qSAR methods.Bioorganic & medicinal chemistry letters, , Aug-18, Volume: 13, Issue:16, 2003
Predicting hERG activities of compounds from their 3D structures: development and evaluation of a global descriptors based QSAR model.European journal of medicinal chemistry, , Volume: 46, Issue:2, 2011
GRIND-based 3D-QSAR and CoMFA to investigate topics dominated by hydrophobic interactions: the case of hERG K+ channel blockers.European journal of medicinal chemistry, , Volume: 44, Issue:5, 2009
Identification of "toxicophoric" features for predicting drug-induced QT interval prolongation.European journal of medicinal chemistry, , Volume: 43, Issue:11, 2008
A two-state homology model of the hERG K+ channel: application to ligand binding.Bioorganic & medicinal chemistry letters, , Mar-15, Volume: 15, Issue:6, 2005
A discriminant model constructed by the support vector machine method for HERG potassium channel inhibitors.Bioorganic & medicinal chemistry letters, , Jun-02, Volume: 15, Issue:11, 2005
Toward a pharmacophore for drugs inducing the long QT syndrome: insights from a CoMFA study of HERG K(+) channel blockers.Journal of medicinal chemistry, , Aug-29, Volume: 45, Issue:18, 2002
The novel therapeutic strategy of vilazodone-donepezil chimeras as potent triple-target ligands for the potential treatment of Alzheimer's disease with comorbid depression.European journal of medicinal chemistry, , Feb-05, Volume: 229, 2022
A tacrine-tetrahydroquinoline heterodimer potently inhibits acetylcholinesterase activity and enhances neurotransmission in mice.European journal of medicinal chemistry, , Dec-15, Volume: 226, 2021
Predicting hERG activities of compounds from their 3D structures: development and evaluation of a global descriptors based QSAR model.European journal of medicinal chemistry, , Volume: 46, Issue:2, 2011
Predicting hERG activities of compounds from their 3D structures: development and evaluation of a global descriptors based QSAR model.European journal of medicinal chemistry, , Volume: 46, Issue:2, 2011
GRIND-based 3D-QSAR and CoMFA to investigate topics dominated by hydrophobic interactions: the case of hERG K+ channel blockers.European journal of medicinal chemistry, , Volume: 44, Issue:5, 2009
Support vector machines classification of hERG liabilities based on atom types.Bioorganic & medicinal chemistry, , Jun-01, Volume: 16, Issue:11, 2008
Identification of "toxicophoric" features for predicting drug-induced QT interval prolongation.European journal of medicinal chemistry, , Volume: 43, Issue:11, 2008
A two-state homology model of the hERG K+ channel: application to ligand binding.Bioorganic & medicinal chemistry letters, , Mar-15, Volume: 15, Issue:6, 2005
A discriminant model constructed by the support vector machine method for HERG potassium channel inhibitors.Bioorganic & medicinal chemistry letters, , Jun-02, Volume: 15, Issue:11, 2005
Prediction of hERG potassium channel affinity by traditional and hologram qSAR methods.Bioorganic & medicinal chemistry letters, , Aug-18, Volume: 13, Issue:16, 2003
Toward a pharmacophore for drugs inducing the long QT syndrome: insights from a CoMFA study of HERG K(+) channel blockers.Journal of medicinal chemistry, , Aug-29, Volume: 45, Issue:18, 2002
[no title available],
Design, synthesis, and biological evaluation of a new series of pyrazole derivatives: Discovery of potent and selective JNK3 kinase inhibitors.Bioorganic & medicinal chemistry, , 09-01, Volume: 69, 2022
Discovery of first-in-class imidazothiazole-based potent and selective ErbB4 (HER4) kinase inhibitors.European journal of medicinal chemistry, , Nov-15, Volume: 224, 2021
Bioisosteric Discovery of NPA101.3, a Second-Generation RET/VEGFR2 Inhibitor Optimized for Single-Agent Polypharmacology.Journal of medicinal chemistry, , 05-14, Volume: 63, Issue:9, 2020
[no title available]European journal of medicinal chemistry, , Dec-01, Volume: 183, 2019
Ligand retargeting by binding site analogy.European journal of medicinal chemistry, , Aug-01, Volume: 175, 2019
Novel Tetrahydroquinazolinamines as Selective Histamine 3 Receptor Antagonists for the Treatment of Obesity.Journal of medicinal chemistry, , 05-09, Volume: 62, Issue:9, 2019
Identification of 4-Phenoxyquinoline Based Inhibitors for L1196M Mutant of Anaplastic Lymphoma Kinase by Structure-Based Design.Journal of medicinal chemistry, , 11-22, Volume: 60, Issue:22, 2017
2-hydroxyisoquinoline-1,3(2H,4H)-diones (HIDs) as human immunodeficiency virus type 1 integrase inhibitors: Influence of the alkylcarboxamide substitution of position 4.European journal of medicinal chemistry, , Jul-19, Volume: 117, 2016
Novel free fatty acid receptor 1 (GPR40) agonists based on 1,3,4-thiadiazole-2-carboxamide scaffold.Bioorganic & medicinal chemistry, , 07-01, Volume: 24, Issue:13, 2016
4-Fluoro-3',4',5'-trimethoxychalcone as a new anti-invasive agent. From discovery to initial validation in an in vivo metastasis model.European journal of medicinal chemistry, , Aug-28, Volume: 101, 2015
Predicting hERG activities of compounds from their 3D structures: development and evaluation of a global descriptors based QSAR model.European journal of medicinal chemistry, , Volume: 46, Issue:2, 2011
GRIND-based 3D-QSAR and CoMFA to investigate topics dominated by hydrophobic interactions: the case of hERG K+ channel blockers.European journal of medicinal chemistry, , Volume: 44, Issue:5, 2009
Support vector machines classification of hERG liabilities based on atom types.Bioorganic & medicinal chemistry, , Jun-01, Volume: 16, Issue:11, 2008
Identification of "toxicophoric" features for predicting drug-induced QT interval prolongation.European journal of medicinal chemistry, , Volume: 43, Issue:11, 2008
A discriminant model constructed by the support vector machine method for HERG potassium channel inhibitors.Bioorganic & medicinal chemistry letters, , Jun-02, Volume: 15, Issue:11, 2005
The pharmacophore hypotheses of I(Kr) potassium channel blockers: novel class III antiarrhythmic agents.Bioorganic & medicinal chemistry letters, , Sep-20, Volume: 14, Issue:18, 2004
Prediction of hERG potassium channel affinity by traditional and hologram qSAR methods.Bioorganic & medicinal chemistry letters, , Aug-18, Volume: 13, Issue:16, 2003
Toward a pharmacophore for drugs inducing the long QT syndrome: insights from a CoMFA study of HERG K(+) channel blockers.Journal of medicinal chemistry, , Aug-29, Volume: 45, Issue:18, 2002
Predicting hERG activities of compounds from their 3D structures: development and evaluation of a global descriptors based QSAR model.European journal of medicinal chemistry, , Volume: 46, Issue:2, 2011
A discriminant model constructed by the support vector machine method for HERG potassium channel inhibitors.Bioorganic & medicinal chemistry letters, , Jun-02, Volume: 15, Issue:11, 2005
[no title available],
Support vector machines classification of hERG liabilities based on atom types.Bioorganic & medicinal chemistry, , Jun-01, Volume: 16, Issue:11, 2008
A discriminant model constructed by the support vector machine method for HERG potassium channel inhibitors.Bioorganic & medicinal chemistry letters, , Jun-02, Volume: 15, Issue:11, 2005
Prediction of hERG potassium channel affinity by traditional and hologram qSAR methods.Bioorganic & medicinal chemistry letters, , Aug-18, Volume: 13, Issue:16, 2003
CNS drug design: balancing physicochemical properties for optimal brain exposure.Journal of medicinal chemistry, , Mar-26, Volume: 58, Issue:6, 2015
Discovery of a novel melanin concentrating hormone receptor 1 (MCHR1) antagonist with reduced hERG inhibition.Bioorganic & medicinal chemistry letters, , Jun-01, Volume: 22, Issue:11, 2012
Predicting hERG activities of compounds from their 3D structures: development and evaluation of a global descriptors based QSAR model.European journal of medicinal chemistry, , Volume: 46, Issue:2, 2011
Docking model of drug binding to the human ether-à-go-go potassium channel guided by tandem dimer mutant patch-clamp data: a synergic approach.Journal of medicinal chemistry, , Mar-26, Volume: 52, Issue:6, 2009
Structural determinants for histamine H(1) affinity, hERG affinity and QTc prolongation in a series of terfenadine analogs.Bioorganic & medicinal chemistry letters, , Sep-01, Volume: 19, Issue:17, 2009
GRIND-based 3D-QSAR and CoMFA to investigate topics dominated by hydrophobic interactions: the case of hERG K+ channel blockers.European journal of medicinal chemistry, , Volume: 44, Issue:5, 2009
Inhibitory effect of carboxylic acid group on hERG binding.Bioorganic & medicinal chemistry letters, , Nov-01, Volume: 16, Issue:21, 2006
A two-state homology model of the hERG K+ channel: application to ligand binding.Bioorganic & medicinal chemistry letters, , Mar-15, Volume: 15, Issue:6, 2005
Characterization of HERG potassium channel inhibition using CoMSiA 3D QSAR and homology modeling approaches.Bioorganic & medicinal chemistry letters, , May-19, Volume: 13, Issue:10, 2003
Toward a pharmacophore for drugs inducing the long QT syndrome: insights from a CoMFA study of HERG K(+) channel blockers.Journal of medicinal chemistry, , Aug-29, Volume: 45, Issue:18, 2002
Predicting hERG activities of compounds from their 3D structures: development and evaluation of a global descriptors based QSAR model.European journal of medicinal chemistry, , Volume: 46, Issue:2, 2011
Support vector machines classification of hERG liabilities based on atom types.Bioorganic & medicinal chemistry, , Jun-01, Volume: 16, Issue:11, 2008
A discriminant model constructed by the support vector machine method for HERG potassium channel inhibitors.Bioorganic & medicinal chemistry letters, , Jun-02, Volume: 15, Issue:11, 2005
Prediction of hERG potassium channel affinity by traditional and hologram qSAR methods.Bioorganic & medicinal chemistry letters, , Aug-18, Volume: 13, Issue:16, 2003
Evaluation of anti-depressant effects of phthalazinone-based triple-acting small molecules against 5-HTBioorganic & medicinal chemistry letters, , 02-15, Volume: 30, Issue:4, 2020
Polypharmacology - foe or friend?Journal of medicinal chemistry, , Nov-27, Volume: 56, Issue:22, 2013
Predicting hERG activities of compounds from their 3D structures: development and evaluation of a global descriptors based QSAR model.European journal of medicinal chemistry, , Volume: 46, Issue:2, 2011
Further optimization of novel pyrrole 3-carboxamides for targeting serotonin 5-HT(2A), 5-HT(2C), and the serotonin transporter as a potential antidepressant.Bioorganic & medicinal chemistry, , Aug-15, Volume: 18, Issue:16, 2010
Support vector machines classification of hERG liabilities based on atom types.Bioorganic & medicinal chemistry, , Jun-01, Volume: 16, Issue:11, 2008
A discriminant model constructed by the support vector machine method for HERG potassium channel inhibitors.Bioorganic & medicinal chemistry letters, , Jun-02, Volume: 15, Issue:11, 2005
Prediction of hERG potassium channel affinity by traditional and hologram qSAR methods.Bioorganic & medicinal chemistry letters, , Aug-18, Volume: 13, Issue:16, 2003
[no title available],
Predicting hERG activities of compounds from their 3D structures: development and evaluation of a global descriptors based QSAR model.European journal of medicinal chemistry, , Volume: 46, Issue:2, 2011
GRIND-based 3D-QSAR and CoMFA to investigate topics dominated by hydrophobic interactions: the case of hERG K+ channel blockers.European journal of medicinal chemistry, , Volume: 44, Issue:5, 2009
A binary QSAR model for classification of hERG potassium channel blockers.Bioorganic & medicinal chemistry, , Apr-01, Volume: 16, Issue:7, 2008
Toward a pharmacophore for drugs inducing the long QT syndrome: insights from a CoMFA study of HERG K(+) channel blockers.Journal of medicinal chemistry, , Aug-29, Volume: 45, Issue:18, 2002
Predicting hERG activities of compounds from their 3D structures: development and evaluation of a global descriptors based QSAR model.European journal of medicinal chemistry, , Volume: 46, Issue:2, 2011
GRIND-based 3D-QSAR and CoMFA to investigate topics dominated by hydrophobic interactions: the case of hERG K+ channel blockers.European journal of medicinal chemistry, , Volume: 44, Issue:5, 2009
A two-state homology model of the hERG K+ channel: application to ligand binding.Bioorganic & medicinal chemistry letters, , Mar-15, Volume: 15, Issue:6, 2005
A discriminant model constructed by the support vector machine method for HERG potassium channel inhibitors.Bioorganic & medicinal chemistry letters, , Jun-02, Volume: 15, Issue:11, 2005
Toward a pharmacophore for drugs inducing the long QT syndrome: insights from a CoMFA study of HERG K(+) channel blockers.Journal of medicinal chemistry, , Aug-29, Volume: 45, Issue:18, 2002
[no title available]Journal of medicinal chemistry, , 06-11, Volume: 63, Issue:11, 2020
Polypharmacology - foe or friend?Journal of medicinal chemistry, , Nov-27, Volume: 56, Issue:22, 2013
Hit-to-lead investigation of a series of novel combined dopamine D2 and muscarinic M1 receptor ligands with putative antipsychotic and pro-cognitive potential.Bioorganic & medicinal chemistry letters, , Aug-01, Volume: 22, Issue:15, 2012
Isolation and structural elucidation of cyclic tetrapeptides from Onychocola sclerotica.Journal of natural products, , Jun-22, Volume: 75, Issue:6, 2012
Predicting hERG activities of compounds from their 3D structures: development and evaluation of a global descriptors based QSAR model.European journal of medicinal chemistry, , Volume: 46, Issue:2, 2011
Simulation of multiple ion channel block provides improved early prediction of compounds' clinical torsadogenic risk.Cardiovascular research, , Jul-01, Volume: 91, Issue:1, 2011
Discovery of a new class of potential multifunctional atypical antipsychotic agents targeting dopamine D3 and serotonin 5-HT1A and 5-HT2A receptors: design, synthesis, and effects on behavior.Journal of medicinal chemistry, , Jan-08, Volume: 52, Issue:1, 2009
GRIND-based 3D-QSAR and CoMFA to investigate topics dominated by hydrophobic interactions: the case of hERG K+ channel blockers.European journal of medicinal chemistry, , Volume: 44, Issue:5, 2009
Side chain flexibilities in the human ether-a-go-go related gene potassium channel (hERG) together with matched-pair binding studies suggest a new binding mode for channel blockers.Journal of medicinal chemistry, , Jul-23, Volume: 52, Issue:14, 2009
Support vector machines classification of hERG liabilities based on atom types.Bioorganic & medicinal chemistry, , Jun-01, Volume: 16, Issue:11, 2008
Ureas with histamine H3-antagonist receptor activity--a new scaffold discovered by lead-hopping from cinnamic acid amides.Bioorganic & medicinal chemistry letters, , Oct-15, Volume: 16, Issue:20, 2006
A two-state homology model of the hERG K+ channel: application to ligand binding.Bioorganic & medicinal chemistry letters, , Mar-15, Volume: 15, Issue:6, 2005
A discriminant model constructed by the support vector machine method for HERG potassium channel inhibitors.Bioorganic & medicinal chemistry letters, , Jun-02, Volume: 15, Issue:11, 2005
The pharmacophore hypotheses of I(Kr) potassium channel blockers: novel class III antiarrhythmic agents.Bioorganic & medicinal chemistry letters, , Sep-20, Volume: 14, Issue:18, 2004
Prediction of hERG potassium channel affinity by traditional and hologram qSAR methods.Bioorganic & medicinal chemistry letters, , Aug-18, Volume: 13, Issue:16, 2003
Characterization of HERG potassium channel inhibition using CoMSiA 3D QSAR and homology modeling approaches.Bioorganic & medicinal chemistry letters, , May-19, Volume: 13, Issue:10, 2003
Toward a pharmacophore for drugs inducing the long QT syndrome: insights from a CoMFA study of HERG K(+) channel blockers.Journal of medicinal chemistry, , Aug-29, Volume: 45, Issue:18, 2002
Simulation of multiple ion channel block provides improved early prediction of compounds' clinical torsadogenic risk.Cardiovascular research, , Jul-01, Volume: 91, Issue:1, 2011
Predicting hERG activities of compounds from their 3D structures: development and evaluation of a global descriptors based QSAR model.European journal of medicinal chemistry, , Volume: 46, Issue:2, 2011
GRIND-based 3D-QSAR and CoMFA to investigate topics dominated by hydrophobic interactions: the case of hERG K+ channel blockers.European journal of medicinal chemistry, , Volume: 44, Issue:5, 2009
Support vector machines classification of hERG liabilities based on atom types.Bioorganic & medicinal chemistry, , Jun-01, Volume: 16, Issue:11, 2008
A two-state homology model of the hERG K+ channel: application to ligand binding.Bioorganic & medicinal chemistry letters, , Mar-15, Volume: 15, Issue:6, 2005
A discriminant model constructed by the support vector machine method for HERG potassium channel inhibitors.Bioorganic & medicinal chemistry letters, , Jun-02, Volume: 15, Issue:11, 2005
Prediction of hERG potassium channel affinity by traditional and hologram qSAR methods.Bioorganic & medicinal chemistry letters, , Aug-18, Volume: 13, Issue:16, 2003
Toward a pharmacophore for drugs inducing the long QT syndrome: insights from a CoMFA study of HERG K(+) channel blockers.Journal of medicinal chemistry, , Aug-29, Volume: 45, Issue:18, 2002
Predicting hERG activities of compounds from their 3D structures: development and evaluation of a global descriptors based QSAR model.European journal of medicinal chemistry, , Volume: 46, Issue:2, 2011
Side chain flexibilities in the human ether-a-go-go related gene potassium channel (hERG) together with matched-pair binding studies suggest a new binding mode for channel blockers.Journal of medicinal chemistry, , Jul-23, Volume: 52, Issue:14, 2009
Support vector machines classification of hERG liabilities based on atom types.Bioorganic & medicinal chemistry, , Jun-01, Volume: 16, Issue:11, 2008
A discriminant model constructed by the support vector machine method for HERG potassium channel inhibitors.Bioorganic & medicinal chemistry letters, , Jun-02, Volume: 15, Issue:11, 2005
Prediction of hERG potassium channel affinity by traditional and hologram qSAR methods.Bioorganic & medicinal chemistry letters, , Aug-18, Volume: 13, Issue:16, 2003
Predicting hERG activities of compounds from their 3D structures: development and evaluation of a global descriptors based QSAR model.European journal of medicinal chemistry, , Volume: 46, Issue:2, 2011
GRIND-based 3D-QSAR and CoMFA to investigate topics dominated by hydrophobic interactions: the case of hERG K+ channel blockers.European journal of medicinal chemistry, , Volume: 44, Issue:5, 2009
Support vector machines classification of hERG liabilities based on atom types.Bioorganic & medicinal chemistry, , Jun-01, Volume: 16, Issue:11, 2008
A discriminant model constructed by the support vector machine method for HERG potassium channel inhibitors.Bioorganic & medicinal chemistry letters, , Jun-02, Volume: 15, Issue:11, 2005
Prediction of hERG potassium channel affinity by traditional and hologram qSAR methods.Bioorganic & medicinal chemistry letters, , Aug-18, Volume: 13, Issue:16, 2003
Toward a pharmacophore for drugs inducing the long QT syndrome: insights from a CoMFA study of HERG K(+) channel blockers.Journal of medicinal chemistry, , Aug-29, Volume: 45, Issue:18, 2002
[no title available],
Predicting hERG activities of compounds from their 3D structures: development and evaluation of a global descriptors based QSAR model.European journal of medicinal chemistry, , Volume: 46, Issue:2, 2011
Support vector machines classification of hERG liabilities based on atom types.Bioorganic & medicinal chemistry, , Jun-01, Volume: 16, Issue:11, 2008
A discriminant model constructed by the support vector machine method for HERG potassium channel inhibitors.Bioorganic & medicinal chemistry letters, , Jun-02, Volume: 15, Issue:11, 2005
The pharmacophore hypotheses of I(Kr) potassium channel blockers: novel class III antiarrhythmic agents.Bioorganic & medicinal chemistry letters, , Sep-20, Volume: 14, Issue:18, 2004
Predicting hERG activities of compounds from their 3D structures: development and evaluation of a global descriptors based QSAR model.European journal of medicinal chemistry, , Volume: 46, Issue:2, 2011
Identification of "toxicophoric" features for predicting drug-induced QT interval prolongation.European journal of medicinal chemistry, , Volume: 43, Issue:11, 2008
A discriminant model constructed by the support vector machine method for HERG potassium channel inhibitors.Bioorganic & medicinal chemistry letters, , Jun-02, Volume: 15, Issue:11, 2005
Predicting hERG activities of compounds from their 3D structures: development and evaluation of a global descriptors based QSAR model.European journal of medicinal chemistry, , Volume: 46, Issue:2, 2011
Side chain flexibilities in the human ether-a-go-go related gene potassium channel (hERG) together with matched-pair binding studies suggest a new binding mode for channel blockers.Journal of medicinal chemistry, , Jul-23, Volume: 52, Issue:14, 2009
Support vector machines classification of hERG liabilities based on atom types.Bioorganic & medicinal chemistry, , Jun-01, Volume: 16, Issue:11, 2008
A discriminant model constructed by the support vector machine method for HERG potassium channel inhibitors.Bioorganic & medicinal chemistry letters, , Jun-02, Volume: 15, Issue:11, 2005
Prediction of hERG potassium channel affinity by traditional and hologram qSAR methods.Bioorganic & medicinal chemistry letters, , Aug-18, Volume: 13, Issue:16, 2003
Optimization of the in vitro cardiac safety of hydroxamate-based histone deacetylase inhibitors.Journal of medicinal chemistry, , Jul-14, Volume: 54, Issue:13, 2011
The design, synthesis and structure-activity relationships of novel isoindoline-based histone deacetylase inhibitors.Bioorganic & medicinal chemistry letters, , Aug-15, Volume: 21, Issue:16, 2011
Simulation of multiple ion channel block provides improved early prediction of compounds' clinical torsadogenic risk.Cardiovascular research, , Jul-01, Volume: 91, Issue:1, 2011
Predicting hERG activities of compounds from their 3D structures: development and evaluation of a global descriptors based QSAR model.European journal of medicinal chemistry, , Volume: 46, Issue:2, 2011
Support vector machines classification of hERG liabilities based on atom types.Bioorganic & medicinal chemistry, , Jun-01, Volume: 16, Issue:11, 2008
A discriminant model constructed by the support vector machine method for HERG potassium channel inhibitors.Bioorganic & medicinal chemistry letters, , Jun-02, Volume: 15, Issue:11, 2005
The pharmacophore hypotheses of I(Kr) potassium channel blockers: novel class III antiarrhythmic agents.Bioorganic & medicinal chemistry letters, , Sep-20, Volume: 14, Issue:18, 2004
Prediction of hERG potassium channel affinity by traditional and hologram qSAR methods.Bioorganic & medicinal chemistry letters, , Aug-18, Volume: 13, Issue:16, 2003
Predicting hERG activities of compounds from their 3D structures: development and evaluation of a global descriptors based QSAR model.European journal of medicinal chemistry, , Volume: 46, Issue:2, 2011
Simulation of multiple ion channel block provides improved early prediction of compounds' clinical torsadogenic risk.Cardiovascular research, , Jul-01, Volume: 91, Issue:1, 2011
Support vector machines classification of hERG liabilities based on atom types.Bioorganic & medicinal chemistry, , Jun-01, Volume: 16, Issue:11, 2008
A discriminant model constructed by the support vector machine method for HERG potassium channel inhibitors.Bioorganic & medicinal chemistry letters, , Jun-02, Volume: 15, Issue:11, 2005
Prediction of hERG potassium channel affinity by traditional and hologram qSAR methods.Bioorganic & medicinal chemistry letters, , Aug-18, Volume: 13, Issue:16, 2003
The synergic modeling for the binding of fluoroquinolone antibiotics to the hERG potassium channel.Bioorganic & medicinal chemistry letters, , Jul-01, Volume: 23, Issue:13, 2013
Predicting hERG activities of compounds from their 3D structures: development and evaluation of a global descriptors based QSAR model.European journal of medicinal chemistry, , Volume: 46, Issue:2, 2011
Support vector machines classification of hERG liabilities based on atom types.Bioorganic & medicinal chemistry, , Jun-01, Volume: 16, Issue:11, 2008
A discriminant model constructed by the support vector machine method for HERG potassium channel inhibitors.Bioorganic & medicinal chemistry letters, , Jun-02, Volume: 15, Issue:11, 2005
Prediction of hERG potassium channel affinity by traditional and hologram qSAR methods.Bioorganic & medicinal chemistry letters, , Aug-18, Volume: 13, Issue:16, 2003
Predicting hERG activities of compounds from their 3D structures: development and evaluation of a global descriptors based QSAR model.European journal of medicinal chemistry, , Volume: 46, Issue:2, 2011
Discovery of 2-substituted benzoxazole carboxamides as 5-HT3 receptor antagonists.Bioorganic & medicinal chemistry letters, , Nov-15, Volume: 20, Issue:22, 2010
Support vector machines classification of hERG liabilities based on atom types.Bioorganic & medicinal chemistry, , Jun-01, Volume: 16, Issue:11, 2008
A discriminant model constructed by the support vector machine method for HERG potassium channel inhibitors.Bioorganic & medicinal chemistry letters, , Jun-02, Volume: 15, Issue:11, 2005
Prediction of hERG potassium channel affinity by traditional and hologram qSAR methods.Bioorganic & medicinal chemistry letters, , Aug-18, Volume: 13, Issue:16, 2003
Enhancement of Benzothiazoles as Pteridine Reductase-1 Inhibitors for the Treatment of Trypanosomatidic Infections.Journal of medicinal chemistry, , 04-25, Volume: 62, Issue:8, 2019
Aryl thiosemicarbazones for the treatment of trypanosomatidic infections.European journal of medicinal chemistry, , Feb-25, Volume: 146, 2018
Methoxylated 2'-hydroxychalcones as antiparasitic hit compounds.European journal of medicinal chemistry, , Jan-27, Volume: 126, 2017
[no title available],
Predicting hERG activities of compounds from their 3D structures: development and evaluation of a global descriptors based QSAR model.European journal of medicinal chemistry, , Volume: 46, Issue:2, 2011
GRIND-based 3D-QSAR and CoMFA to investigate topics dominated by hydrophobic interactions: the case of hERG K+ channel blockers.European journal of medicinal chemistry, , Volume: 44, Issue:5, 2009
Support vector machines classification of hERG liabilities based on atom types.Bioorganic & medicinal chemistry, , Jun-01, Volume: 16, Issue:11, 2008
A two-state homology model of the hERG K+ channel: application to ligand binding.Bioorganic & medicinal chemistry letters, , Mar-15, Volume: 15, Issue:6, 2005
Prediction of hERG potassium channel affinity by traditional and hologram qSAR methods.Bioorganic & medicinal chemistry letters, , Aug-18, Volume: 13, Issue:16, 2003
Toward a pharmacophore for drugs inducing the long QT syndrome: insights from a CoMFA study of HERG K(+) channel blockers.Journal of medicinal chemistry, , Aug-29, Volume: 45, Issue:18, 2002
Predicting hERG activities of compounds from their 3D structures: development and evaluation of a global descriptors based QSAR model.European journal of medicinal chemistry, , Volume: 46, Issue:2, 2011
Identification of "toxicophoric" features for predicting drug-induced QT interval prolongation.European journal of medicinal chemistry, , Volume: 43, Issue:11, 2008
The pharmacophore hypotheses of I(Kr) potassium channel blockers: novel class III antiarrhythmic agents.Bioorganic & medicinal chemistry letters, , Sep-20, Volume: 14, Issue:18, 2004
Predicting hERG activities of compounds from their 3D structures: development and evaluation of a global descriptors based QSAR model.European journal of medicinal chemistry, , Volume: 46, Issue:2, 2011
A discriminant model constructed by the support vector machine method for HERG potassium channel inhibitors.Bioorganic & medicinal chemistry letters, , Jun-02, Volume: 15, Issue:11, 2005
[no title available],
Simulation of multiple ion channel block provides improved early prediction of compounds' clinical torsadogenic risk.Cardiovascular research, , Jul-01, Volume: 91, Issue:1, 2011
Optimization of propafenone analogues as antimalarial leads.Journal of medicinal chemistry, , Nov-10, Volume: 54, Issue:21, 2011
The pharmacophore hypotheses of I(Kr) potassium channel blockers: novel class III antiarrhythmic agents.Bioorganic & medicinal chemistry letters, , Sep-20, Volume: 14, Issue:18, 2004
Discovery of a new class of multi-target heterocycle piperidine derivatives as potential antipsychotics with pro-cognitive effect.Bioorganic & medicinal chemistry letters, , 05-15, Volume: 40, 2021
Synthesis and biological investigation of triazolopyridinone derivatives as potential multireceptor atypical antipsychotics.Bioorganic & medicinal chemistry letters, , 04-15, Volume: 30, Issue:8, 2020
[no title available]European journal of medicinal chemistry, , Dec-01, Volume: 207, 2020
[no title available]European journal of medicinal chemistry, , Feb-10, Volume: 145, 2018
Synthesis and Biological Evaluation of Fused Tricyclic Heterocycle Piperazine (Piperidine) Derivatives As Potential Multireceptor Atypical Antipsychotics.Journal of medicinal chemistry, , 11-21, Volume: 61, Issue:22, 2018
Synthesis and biological investigation of tetrahydropyridopyrimidinone derivatives as potential multireceptor atypical antipsychotics.Bioorganic & medicinal chemistry, , 09-01, Volume: 25, Issue:17, 2017
Synthesis, structure-activity relationships, and biological evaluation of a series of benzamides as potential multireceptor antipsychotics.Bioorganic & medicinal chemistry letters, , 07-01, Volume: 26, Issue:13, 2016
Synthesis and biological investigation of coumarin piperazine (piperidine) derivatives as potential multireceptor atypical antipsychotics.Journal of medicinal chemistry, , Jun-13, Volume: 56, Issue:11, 2013
Simulation of multiple ion channel block provides improved early prediction of compounds' clinical torsadogenic risk.Cardiovascular research, , Jul-01, Volume: 91, Issue:1, 2011
Predicting hERG activities of compounds from their 3D structures: development and evaluation of a global descriptors based QSAR model.European journal of medicinal chemistry, , Volume: 46, Issue:2, 2011
Discovery of a new class of potential multifunctional atypical antipsychotic agents targeting dopamine D3 and serotonin 5-HT1A and 5-HT2A receptors: design, synthesis, and effects on behavior.Journal of medicinal chemistry, , Jan-08, Volume: 52, Issue:1, 2009
GRIND-based 3D-QSAR and CoMFA to investigate topics dominated by hydrophobic interactions: the case of hERG K+ channel blockers.European journal of medicinal chemistry, , Volume: 44, Issue:5, 2009
Side chain flexibilities in the human ether-a-go-go related gene potassium channel (hERG) together with matched-pair binding studies suggest a new binding mode for channel blockers.Journal of medicinal chemistry, , Jul-23, Volume: 52, Issue:14, 2009
Support vector machines classification of hERG liabilities based on atom types.Bioorganic & medicinal chemistry, , Jun-01, Volume: 16, Issue:11, 2008
A two-state homology model of the hERG K+ channel: application to ligand binding.Bioorganic & medicinal chemistry letters, , Mar-15, Volume: 15, Issue:6, 2005
The pharmacophore hypotheses of I(Kr) potassium channel blockers: novel class III antiarrhythmic agents.Bioorganic & medicinal chemistry letters, , Sep-20, Volume: 14, Issue:18, 2004
Prediction of hERG potassium channel affinity by traditional and hologram qSAR methods.Bioorganic & medicinal chemistry letters, , Aug-18, Volume: 13, Issue:16, 2003
Toward a pharmacophore for drugs inducing the long QT syndrome: insights from a CoMFA study of HERG K(+) channel blockers.Journal of medicinal chemistry, , Aug-29, Volume: 45, Issue:18, 2002
[no title available],
Design and synthesis of novel Flavone-based histone deacetylase inhibitors antagonizing activation of STAT3 in breast cancer.European journal of medicinal chemistry, , Nov-15, Volume: 206, 2020
Design, synthesis and biological evaluation of novel histone deacetylase inhibitors incorporating 4-aminoquinazolinyl systems as capping groups.Bioorganic & medicinal chemistry letters, , 11-01, Volume: 27, Issue:21, 2017
Optimization of the in vitro cardiac safety of hydroxamate-based histone deacetylase inhibitors.Journal of medicinal chemistry, , Jul-14, Volume: 54, Issue:13, 2011
The design, synthesis and structure-activity relationships of novel isoindoline-based histone deacetylase inhibitors.Bioorganic & medicinal chemistry letters, , Aug-15, Volume: 21, Issue:16, 2011
The synergic modeling for the binding of fluoroquinolone antibiotics to the hERG potassium channel.Bioorganic & medicinal chemistry letters, , Jul-01, Volume: 23, Issue:13, 2013
Predicting hERG activities of compounds from their 3D structures: development and evaluation of a global descriptors based QSAR model.European journal of medicinal chemistry, , Volume: 46, Issue:2, 2011
GRIND-based 3D-QSAR and CoMFA to investigate topics dominated by hydrophobic interactions: the case of hERG K+ channel blockers.European journal of medicinal chemistry, , Volume: 44, Issue:5, 2009
Support vector machines classification of hERG liabilities based on atom types.Bioorganic & medicinal chemistry, , Jun-01, Volume: 16, Issue:11, 2008
A two-state homology model of the hERG K+ channel: application to ligand binding.Bioorganic & medicinal chemistry letters, , Mar-15, Volume: 15, Issue:6, 2005
A discriminant model constructed by the support vector machine method for HERG potassium channel inhibitors.Bioorganic & medicinal chemistry letters, , Jun-02, Volume: 15, Issue:11, 2005
Prediction of hERG potassium channel affinity by traditional and hologram qSAR methods.Bioorganic & medicinal chemistry letters, , Aug-18, Volume: 13, Issue:16, 2003
Toward a pharmacophore for drugs inducing the long QT syndrome: insights from a CoMFA study of HERG K(+) channel blockers.Journal of medicinal chemistry, , Aug-29, Volume: 45, Issue:18, 2002
Discovery of Novel Acetamide-Based Heme Oxygenase-1 Inhibitors with Potent Journal of medicinal chemistry, , 09-23, Volume: 64, Issue:18, 2021
[no title available]Journal of medicinal chemistry, , 06-11, Volume: 63, Issue:11, 2020
Identification of Dihydrofuro[3,4- d]pyrimidine Derivatives as Novel HIV-1 Non-Nucleoside Reverse Transcriptase Inhibitors with Promising Antiviral Activities and Desirable Physicochemical Properties.Journal of medicinal chemistry, , 02-14, Volume: 62, Issue:3, 2019
Structure-Based Optimization of Thiophene[3,2-d]pyrimidine Derivatives as Potent HIV-1 Non-nucleoside Reverse Transcriptase Inhibitors with Improved Potency against Resistance-Associated Variants.Journal of medicinal chemistry, , 05-25, Volume: 60, Issue:10, 2017
CNS drug design: balancing physicochemical properties for optimal brain exposure.Journal of medicinal chemistry, , Mar-26, Volume: 58, Issue:6, 2015
Repurposing the antihistamine terfenadine for antimicrobial activity against Staphylococcus aureus.Journal of medicinal chemistry, , Oct-23, Volume: 57, Issue:20, 2014
Discovery of a novel melanin concentrating hormone receptor 1 (MCHR1) antagonist with reduced hERG inhibition.Bioorganic & medicinal chemistry letters, , Jun-01, Volume: 22, Issue:11, 2012
Simulation of multiple ion channel block provides improved early prediction of compounds' clinical torsadogenic risk.Cardiovascular research, , Jul-01, Volume: 91, Issue:1, 2011
Predicting hERG activities of compounds from their 3D structures: development and evaluation of a global descriptors based QSAR model.European journal of medicinal chemistry, , Volume: 46, Issue:2, 2011
Structural determinants for histamine H(1) affinity, hERG affinity and QTc prolongation in a series of terfenadine analogs.Bioorganic & medicinal chemistry letters, , Sep-01, Volume: 19, Issue:17, 2009
GRIND-based 3D-QSAR and CoMFA to investigate topics dominated by hydrophobic interactions: the case of hERG K+ channel blockers.European journal of medicinal chemistry, , Volume: 44, Issue:5, 2009
Side chain flexibilities in the human ether-a-go-go related gene potassium channel (hERG) together with matched-pair binding studies suggest a new binding mode for channel blockers.Journal of medicinal chemistry, , Jul-23, Volume: 52, Issue:14, 2009
Docking model of drug binding to the human ether-à-go-go potassium channel guided by tandem dimer mutant patch-clamp data: a synergic approach.Journal of medicinal chemistry, , Mar-26, Volume: 52, Issue:6, 2009
Support vector machines classification of hERG liabilities based on atom types.Bioorganic & medicinal chemistry, , Jun-01, Volume: 16, Issue:11, 2008
Inhibitory effect of carboxylic acid group on hERG binding.Bioorganic & medicinal chemistry letters, , Nov-01, Volume: 16, Issue:21, 2006
Novel indolylindazolylmaleimides as inhibitors of protein kinase C-beta: synthesis, biological activity, and cardiovascular safety.Journal of medicinal chemistry, , Mar-24, Volume: 48, Issue:6, 2005
A two-state homology model of the hERG K+ channel: application to ligand binding.Bioorganic & medicinal chemistry letters, , Mar-15, Volume: 15, Issue:6, 2005
A discriminant model constructed by the support vector machine method for HERG potassium channel inhibitors.Bioorganic & medicinal chemistry letters, , Jun-02, Volume: 15, Issue:11, 2005
The pharmacophore hypotheses of I(Kr) potassium channel blockers: novel class III antiarrhythmic agents.Bioorganic & medicinal chemistry letters, , Sep-20, Volume: 14, Issue:18, 2004
Understanding the structure-activity relationship of the human ether-a-go-go-related gene cardiac K+ channel. A model for bad behavior.Journal of medicinal chemistry, , May-22, Volume: 46, Issue:11, 2003
Prediction of hERG potassium channel affinity by traditional and hologram qSAR methods.Bioorganic & medicinal chemistry letters, , Aug-18, Volume: 13, Issue:16, 2003
Characterization of HERG potassium channel inhibition using CoMSiA 3D QSAR and homology modeling approaches.Bioorganic & medicinal chemistry letters, , May-19, Volume: 13, Issue:10, 2003
Toward a pharmacophore for drugs inducing the long QT syndrome: insights from a CoMFA study of HERG K(+) channel blockers.Journal of medicinal chemistry, , Aug-29, Volume: 45, Issue:18, 2002
Predicting hERG activities of compounds from their 3D structures: development and evaluation of a global descriptors based QSAR model.European journal of medicinal chemistry, , Volume: 46, Issue:2, 2011
Simulation of multiple ion channel block provides improved early prediction of compounds' clinical torsadogenic risk.Cardiovascular research, , Jul-01, Volume: 91, Issue:1, 2011
GRIND-based 3D-QSAR and CoMFA to investigate topics dominated by hydrophobic interactions: the case of hERG K+ channel blockers.European journal of medicinal chemistry, , Volume: 44, Issue:5, 2009
Side chain flexibilities in the human ether-a-go-go related gene potassium channel (hERG) together with matched-pair binding studies suggest a new binding mode for channel blockers.Journal of medicinal chemistry, , Jul-23, Volume: 52, Issue:14, 2009
Support vector machines classification of hERG liabilities based on atom types.Bioorganic & medicinal chemistry, , Jun-01, Volume: 16, Issue:11, 2008
Ureas with histamine H3-antagonist receptor activity--a new scaffold discovered by lead-hopping from cinnamic acid amides.Bioorganic & medicinal chemistry letters, , Oct-15, Volume: 16, Issue:20, 2006
A two-state homology model of the hERG K+ channel: application to ligand binding.Bioorganic & medicinal chemistry letters, , Mar-15, Volume: 15, Issue:6, 2005
A discriminant model constructed by the support vector machine method for HERG potassium channel inhibitors.Bioorganic & medicinal chemistry letters, , Jun-02, Volume: 15, Issue:11, 2005
Understanding the structure-activity relationship of the human ether-a-go-go-related gene cardiac K+ channel. A model for bad behavior.Journal of medicinal chemistry, , May-22, Volume: 46, Issue:11, 2003
Prediction of hERG potassium channel affinity by traditional and hologram qSAR methods.Bioorganic & medicinal chemistry letters, , Aug-18, Volume: 13, Issue:16, 2003
Toward a pharmacophore for drugs inducing the long QT syndrome: insights from a CoMFA study of HERG K(+) channel blockers.Journal of medicinal chemistry, , Aug-29, Volume: 45, Issue:18, 2002
[no title available],
Predicting hERG activities of compounds from their 3D structures: development and evaluation of a global descriptors based QSAR model.European journal of medicinal chemistry, , Volume: 46, Issue:2, 2011
Support vector machines classification of hERG liabilities based on atom types.Bioorganic & medicinal chemistry, , Jun-01, Volume: 16, Issue:11, 2008
Prediction of hERG potassium channel affinity by traditional and hologram qSAR methods.Bioorganic & medicinal chemistry letters, , Aug-18, Volume: 13, Issue:16, 2003
Predicting hERG activities of compounds from their 3D structures: development and evaluation of a global descriptors based QSAR model.European journal of medicinal chemistry, , Volume: 46, Issue:2, 2011
Support vector machines classification of hERG liabilities based on atom types.Bioorganic & medicinal chemistry, , Jun-01, Volume: 16, Issue:11, 2008
The pharmacophore hypotheses of I(Kr) potassium channel blockers: novel class III antiarrhythmic agents.Bioorganic & medicinal chemistry letters, , Sep-20, Volume: 14, Issue:18, 2004
Prediction of hERG potassium channel affinity by traditional and hologram qSAR methods.Bioorganic & medicinal chemistry letters, , Aug-18, Volume: 13, Issue:16, 2003
Design, synthesis and biological evaluation of 4,7,12,12a-tetrahydro-5H-thieno[3',2':3,4]pyrido[1,2-b]isoquinolines as novel adenosine 5'-monophosphate-activated protein kinase (AMPK) indirect activators for the treatment of type 2 diabetes.European journal of medicinal chemistry, , Nov-10, Volume: 140, 2017
Structure-activity relationships of 9-substituted-9-dihydroerythromycin-based motilin agonists: optimizing for potency and safety.Journal of medicinal chemistry, , Nov-12, Volume: 52, Issue:21, 2009
The pharmacophore hypotheses of I(Kr) potassium channel blockers: novel class III antiarrhythmic agents.Bioorganic & medicinal chemistry letters, , Sep-20, Volume: 14, Issue:18, 2004
Simulation of multiple ion channel block provides improved early prediction of compounds' clinical torsadogenic risk.Cardiovascular research, , Jul-01, Volume: 91, Issue:1, 2011
Predicting hERG activities of compounds from their 3D structures: development and evaluation of a global descriptors based QSAR model.European journal of medicinal chemistry, , Volume: 46, Issue:2, 2011
GRIND-based 3D-QSAR and CoMFA to investigate topics dominated by hydrophobic interactions: the case of hERG K+ channel blockers.European journal of medicinal chemistry, , Volume: 44, Issue:5, 2009
Side chain flexibilities in the human ether-a-go-go related gene potassium channel (hERG) together with matched-pair binding studies suggest a new binding mode for channel blockers.Journal of medicinal chemistry, , Jul-23, Volume: 52, Issue:14, 2009
Support vector machines classification of hERG liabilities based on atom types.Bioorganic & medicinal chemistry, , Jun-01, Volume: 16, Issue:11, 2008
Identification of "toxicophoric" features for predicting drug-induced QT interval prolongation.European journal of medicinal chemistry, , Volume: 43, Issue:11, 2008
Ureas with histamine H3-antagonist receptor activity--a new scaffold discovered by lead-hopping from cinnamic acid amides.Bioorganic & medicinal chemistry letters, , Oct-15, Volume: 16, Issue:20, 2006
A two-state homology model of the hERG K+ channel: application to ligand binding.Bioorganic & medicinal chemistry letters, , Mar-15, Volume: 15, Issue:6, 2005
A discriminant model constructed by the support vector machine method for HERG potassium channel inhibitors.Bioorganic & medicinal chemistry letters, , Jun-02, Volume: 15, Issue:11, 2005
The pharmacophore hypotheses of I(Kr) potassium channel blockers: novel class III antiarrhythmic agents.Bioorganic & medicinal chemistry letters, , Sep-20, Volume: 14, Issue:18, 2004
Understanding the structure-activity relationship of the human ether-a-go-go-related gene cardiac K+ channel. A model for bad behavior.Journal of medicinal chemistry, , May-22, Volume: 46, Issue:11, 2003
Prediction of hERG potassium channel affinity by traditional and hologram qSAR methods.Bioorganic & medicinal chemistry letters, , Aug-18, Volume: 13, Issue:16, 2003
Characterization of HERG potassium channel inhibition using CoMSiA 3D QSAR and homology modeling approaches.Bioorganic & medicinal chemistry letters, , May-19, Volume: 13, Issue:10, 2003
Toward a pharmacophore for drugs inducing the long QT syndrome: insights from a CoMFA study of HERG K(+) channel blockers.Journal of medicinal chemistry, , Aug-29, Volume: 45, Issue:18, 2002
[no title available]Journal of medicinal chemistry, , 03-25, Volume: 64, Issue:6, 2021
3-Hydroxy-N'-arylidenepropanehydrazonamides with Halo-Substituted Phenanthrene Scaffolds Cure P. berghei Infected Mice When Administered Perorally.Journal of medicinal chemistry, , 07-27, Volume: 60, Issue:14, 2017
Identification and optimization of an aminoalcohol-carbazole series with antimalarial properties.ACS medicinal chemistry letters, , Nov-14, Volume: 4, Issue:11, 2013
Predicting hERG activities of compounds from their 3D structures: development and evaluation of a global descriptors based QSAR model.European journal of medicinal chemistry, , Volume: 46, Issue:2, 2011
Candidate selection and preclinical evaluation of N-tert-butyl isoquine (GSK369796), an affordable and effective 4-aminoquinoline antimalarial for the 21st century.Journal of medicinal chemistry, , Mar-12, Volume: 52, Issue:5, 2009
GRIND-based 3D-QSAR and CoMFA to investigate topics dominated by hydrophobic interactions: the case of hERG K+ channel blockers.European journal of medicinal chemistry, , Volume: 44, Issue:5, 2009
Support vector machines classification of hERG liabilities based on atom types.Bioorganic & medicinal chemistry, , Jun-01, Volume: 16, Issue:11, 2008
A two-state homology model of the hERG K+ channel: application to ligand binding.Bioorganic & medicinal chemistry letters, , Mar-15, Volume: 15, Issue:6, 2005
A discriminant model constructed by the support vector machine method for HERG potassium channel inhibitors.Bioorganic & medicinal chemistry letters, , Jun-02, Volume: 15, Issue:11, 2005
The pharmacophore hypotheses of I(Kr) potassium channel blockers: novel class III antiarrhythmic agents.Bioorganic & medicinal chemistry letters, , Sep-20, Volume: 14, Issue:18, 2004
Prediction of hERG potassium channel affinity by traditional and hologram qSAR methods.Bioorganic & medicinal chemistry letters, , Aug-18, Volume: 13, Issue:16, 2003
Toward a pharmacophore for drugs inducing the long QT syndrome: insights from a CoMFA study of HERG K(+) channel blockers.Journal of medicinal chemistry, , Aug-29, Volume: 45, Issue:18, 2002
Simulation of multiple ion channel block provides improved early prediction of compounds' clinical torsadogenic risk.Cardiovascular research, , Jul-01, Volume: 91, Issue:1, 2011
GRIND-based 3D-QSAR and CoMFA to investigate topics dominated by hydrophobic interactions: the case of hERG K+ channel blockers.European journal of medicinal chemistry, , Volume: 44, Issue:5, 2009
Support vector machines classification of hERG liabilities based on atom types.Bioorganic & medicinal chemistry, , Jun-01, Volume: 16, Issue:11, 2008
A two-state homology model of the hERG K+ channel: application to ligand binding.Bioorganic & medicinal chemistry letters, , Mar-15, Volume: 15, Issue:6, 2005
A discriminant model constructed by the support vector machine method for HERG potassium channel inhibitors.Bioorganic & medicinal chemistry letters, , Jun-02, Volume: 15, Issue:11, 2005
Prediction of hERG potassium channel affinity by traditional and hologram qSAR methods.Bioorganic & medicinal chemistry letters, , Aug-18, Volume: 13, Issue:16, 2003
Toward a pharmacophore for drugs inducing the long QT syndrome: insights from a CoMFA study of HERG K(+) channel blockers.Journal of medicinal chemistry, , Aug-29, Volume: 45, Issue:18, 2002
Design, synthesis, and characterization of novel aminoalcohol quinolines with strong in vitro antimalarial activity.European journal of medicinal chemistry, , Jan-15, Volume: 228, 2022
Synthesis of 3-azabicyclo[3.2.2]nonanes and their antiprotozoal activities.Bioorganic & medicinal chemistry letters, , Apr-01, Volume: 25, Issue:7, 2015
Identification and optimization of an aminoalcohol-carbazole series with antimalarial properties.ACS medicinal chemistry letters, , Nov-14, Volume: 4, Issue:11, 2013
Novel arylsulfonamide derivatives with 5-HT₆/5-HT₇ receptor antagonism targeting behavioral and psychological symptoms of dementia.Journal of medicinal chemistry, , Jun-12, Volume: 57, Issue:11, 2014
Predicting hERG activities of compounds from their 3D structures: development and evaluation of a global descriptors based QSAR model.European journal of medicinal chemistry, , Volume: 46, Issue:2, 2011
Simulation of multiple ion channel block provides improved early prediction of compounds' clinical torsadogenic risk.Cardiovascular research, , Jul-01, Volume: 91, Issue:1, 2011
GRIND-based 3D-QSAR and CoMFA to investigate topics dominated by hydrophobic interactions: the case of hERG K+ channel blockers.European journal of medicinal chemistry, , Volume: 44, Issue:5, 2009
Side chain flexibilities in the human ether-a-go-go related gene potassium channel (hERG) together with matched-pair binding studies suggest a new binding mode for channel blockers.Journal of medicinal chemistry, , Jul-23, Volume: 52, Issue:14, 2009
Support vector machines classification of hERG liabilities based on atom types.Bioorganic & medicinal chemistry, , Jun-01, Volume: 16, Issue:11, 2008
A two-state homology model of the hERG K+ channel: application to ligand binding.Bioorganic & medicinal chemistry letters, , Mar-15, Volume: 15, Issue:6, 2005
A discriminant model constructed by the support vector machine method for HERG potassium channel inhibitors.Bioorganic & medicinal chemistry letters, , Jun-02, Volume: 15, Issue:11, 2005
Understanding the structure-activity relationship of the human ether-a-go-go-related gene cardiac K+ channel. A model for bad behavior.Journal of medicinal chemistry, , May-22, Volume: 46, Issue:11, 2003
Prediction of hERG potassium channel affinity by traditional and hologram qSAR methods.Bioorganic & medicinal chemistry letters, , Aug-18, Volume: 13, Issue:16, 2003
Characterization of HERG potassium channel inhibition using CoMSiA 3D QSAR and homology modeling approaches.Bioorganic & medicinal chemistry letters, , May-19, Volume: 13, Issue:10, 2003
Toward a pharmacophore for drugs inducing the long QT syndrome: insights from a CoMFA study of HERG K(+) channel blockers.Journal of medicinal chemistry, , Aug-29, Volume: 45, Issue:18, 2002
Recent developments in the biology and medicinal chemistry of potassium channel modulators: update from a decade of progress.Journal of medicinal chemistry, , May-24, Volume: 44, Issue:11, 2001
Novel C-7 carbon substituted fourth generation fluoroquinolones targeting N. Gonorrhoeae infections.Bioorganic & medicinal chemistry letters, , 10-15, Volume: 30, Issue:20, 2020
The synergic modeling for the binding of fluoroquinolone antibiotics to the hERG potassium channel.Bioorganic & medicinal chemistry letters, , Jul-01, Volume: 23, Issue:13, 2013
GRIND-based 3D-QSAR and CoMFA to investigate topics dominated by hydrophobic interactions: the case of hERG K+ channel blockers.European journal of medicinal chemistry, , Volume: 44, Issue:5, 2009
Support vector machines classification of hERG liabilities based on atom types.Bioorganic & medicinal chemistry, , Jun-01, Volume: 16, Issue:11, 2008
A two-state homology model of the hERG K+ channel: application to ligand binding.Bioorganic & medicinal chemistry letters, , Mar-15, Volume: 15, Issue:6, 2005
A discriminant model constructed by the support vector machine method for HERG potassium channel inhibitors.Bioorganic & medicinal chemistry letters, , Jun-02, Volume: 15, Issue:11, 2005
Prediction of hERG potassium channel affinity by traditional and hologram qSAR methods.Bioorganic & medicinal chemistry letters, , Aug-18, Volume: 13, Issue:16, 2003
Toward a pharmacophore for drugs inducing the long QT syndrome: insights from a CoMFA study of HERG K(+) channel blockers.Journal of medicinal chemistry, , Aug-29, Volume: 45, Issue:18, 2002
[no title available],
Structural hybridization of pyrrolidine-based T-type calcium channel inhibitors and exploration of their analgesic effects in a neuropathic pain model.Bioorganic & medicinal chemistry letters, , 05-15, Volume: 29, Issue:10, 2019
Discovery of a Potent, Selective T-type Calcium Channel Blocker as a Drug Candidate for the Treatment of Generalized Epilepsies.Journal of medicinal chemistry, , 12-14, Volume: 60, Issue:23, 2017
Discovery of novel bridged tetrahydronaphthalene derivatives as potent T/L-type calcium channel blockers.Bioorganic & medicinal chemistry letters, , Sep-15, Volume: 25, Issue:18, 2015
Synthesis and biological evaluation of 1-(2-hydroxy-3-phenyloxypropyl)piperazine derivatives as T-type calcium channel blockers.Bioorganic & medicinal chemistry letters, , Mar-15, Volume: 23, Issue:6, 2013
Discovery of N-[[1-[2-(tert-butylcarbamoylamino)ethyl]-4-(hydroxymethyl)-4-piperidyl]methyl]-3,5-dichloro-benzamide as a selective T-type calcium channel (Cav3.2) inhibitor.Bioorganic & medicinal chemistry letters, , Jan-01, Volume: 23, Issue:1, 2013
Synthesis and biological evaluation of 4-piperidinecarboxylate and 4-piperidinecyanide derivatives for T-type calcium channel blockers.Bioorganic & medicinal chemistry letters, , Oct-01, Volume: 21, Issue:19, 2011
Facile synthesis and biological evaluation of 3,3-diphenylpropanoyl piperazines as T-type calcium channel blockers.Bioorganic & medicinal chemistry letters, , Jan-01, Volume: 21, Issue:1, 2011
Simulation of multiple ion channel block provides improved early prediction of compounds' clinical torsadogenic risk.Cardiovascular research, , Jul-01, Volume: 91, Issue:1, 2011
Synthesis and biological evaluation of 1,4-diazepane derivatives as T-type calcium channel blockers.Bioorganic & medicinal chemistry letters, , May-01, Volume: 20, Issue:9, 2010
GRIND-based 3D-QSAR and CoMFA to investigate topics dominated by hydrophobic interactions: the case of hERG K+ channel blockers.European journal of medicinal chemistry, , Volume: 44, Issue:5, 2009
Discovery of 1,4-substituted piperidines as potent and selective inhibitors of T-type calcium channels.Journal of medicinal chemistry, , Oct-23, Volume: 51, Issue:20, 2008
Support vector machines classification of hERG liabilities based on atom types.Bioorganic & medicinal chemistry, , Jun-01, Volume: 16, Issue:11, 2008
Fluorescently labeled analogues of dofetilide as high-affinity fluorescence polarization ligands for the human ether-a-go-go-related gene (hERG) channel.Journal of medicinal chemistry, , Jun-28, Volume: 50, Issue:13, 2007
A two-state homology model of the hERG K+ channel: application to ligand binding.Bioorganic & medicinal chemistry letters, , Mar-15, Volume: 15, Issue:6, 2005
A discriminant model constructed by the support vector machine method for HERG potassium channel inhibitors.Bioorganic & medicinal chemistry letters, , Jun-02, Volume: 15, Issue:11, 2005
The pharmacophore hypotheses of I(Kr) potassium channel blockers: novel class III antiarrhythmic agents.Bioorganic & medicinal chemistry letters, , Sep-20, Volume: 14, Issue:18, 2004
Prediction of hERG potassium channel affinity by traditional and hologram qSAR methods.Bioorganic & medicinal chemistry letters, , Aug-18, Volume: 13, Issue:16, 2003
Toward a pharmacophore for drugs inducing the long QT syndrome: insights from a CoMFA study of HERG K(+) channel blockers.Journal of medicinal chemistry, , Aug-29, Volume: 45, Issue:18, 2002
Predicting hERG activities of compounds from their 3D structures: development and evaluation of a global descriptors based QSAR model.European journal of medicinal chemistry, , Volume: 46, Issue:2, 2011
Support vector machines classification of hERG liabilities based on atom types.Bioorganic & medicinal chemistry, , Jun-01, Volume: 16, Issue:11, 2008
A discriminant model constructed by the support vector machine method for HERG potassium channel inhibitors.Bioorganic & medicinal chemistry letters, , Jun-02, Volume: 15, Issue:11, 2005
The pharmacophore hypotheses of I(Kr) potassium channel blockers: novel class III antiarrhythmic agents.Bioorganic & medicinal chemistry letters, , Sep-20, Volume: 14, Issue:18, 2004
Prediction of hERG potassium channel affinity by traditional and hologram qSAR methods.Bioorganic & medicinal chemistry letters, , Aug-18, Volume: 13, Issue:16, 2003
Side chain flexibilities in the human ether-a-go-go related gene potassium channel (hERG) together with matched-pair binding studies suggest a new binding mode for channel blockers.Journal of medicinal chemistry, , Jul-23, Volume: 52, Issue:14, 2009
4-(Phenylsulfonyl)piperidines: novel, selective, and bioavailable 5-HT(2A) receptor antagonists.Journal of medicinal chemistry, , Jan-17, Volume: 45, Issue:2, 2002
Discovery of a new class of multi-target heterocycle piperidine derivatives as potential antipsychotics with pro-cognitive effect.Bioorganic & medicinal chemistry letters, , 05-15, Volume: 40, 2021
[no title available]European journal of medicinal chemistry, , Dec-01, Volume: 207, 2020
[no title available]European journal of medicinal chemistry, , Feb-10, Volume: 145, 2018
Synthesis, structure-activity relationships, and biological evaluation of a series of benzamides as potential multireceptor antipsychotics.Bioorganic & medicinal chemistry letters, , 07-01, Volume: 26, Issue:13, 2016
Predicting hERG activities of compounds from their 3D structures: development and evaluation of a global descriptors based QSAR model.European journal of medicinal chemistry, , Volume: 46, Issue:2, 2011
Discovery of bishomo(hetero)arylpiperazines as novel multifunctional ligands targeting dopamine D(3) and serotonin 5-HT(1A) and 5-HT(2A) receptors.Journal of medicinal chemistry, , Jun-24, Volume: 53, Issue:12, 2010
Experimental solubility profiling of marketed CNS drugs, exploring solubility limit of CNS discovery candidate.Bioorganic & medicinal chemistry letters, , Dec-15, Volume: 20, Issue:24, 2010
6-Alkoxyisoindolin-1-one based dopamine D2 partial agonists as potential antipsychotics.Bioorganic & medicinal chemistry letters, , Oct-01, Volume: 20, Issue:19, 2010
Discovery of a new class of potential multifunctional atypical antipsychotic agents targeting dopamine D3 and serotonin 5-HT1A and 5-HT2A receptors: design, synthesis, and effects on behavior.Journal of medicinal chemistry, , Jan-08, Volume: 52, Issue:1, 2009
Predicting hERG activities of compounds from their 3D structures: development and evaluation of a global descriptors based QSAR model.European journal of medicinal chemistry, , Volume: 46, Issue:2, 2011
Experimental solubility profiling of marketed CNS drugs, exploring solubility limit of CNS discovery candidate.Bioorganic & medicinal chemistry letters, , Dec-15, Volume: 20, Issue:24, 2010
GRIND-based 3D-QSAR and CoMFA to investigate topics dominated by hydrophobic interactions: the case of hERG K+ channel blockers.European journal of medicinal chemistry, , Volume: 44, Issue:5, 2009
Side chain flexibilities in the human ether-a-go-go related gene potassium channel (hERG) together with matched-pair binding studies suggest a new binding mode for channel blockers.Journal of medicinal chemistry, , Jul-23, Volume: 52, Issue:14, 2009
Support vector machines classification of hERG liabilities based on atom types.Bioorganic & medicinal chemistry, , Jun-01, Volume: 16, Issue:11, 2008
A two-state homology model of the hERG K+ channel: application to ligand binding.Bioorganic & medicinal chemistry letters, , Mar-15, Volume: 15, Issue:6, 2005
A discriminant model constructed by the support vector machine method for HERG potassium channel inhibitors.Bioorganic & medicinal chemistry letters, , Jun-02, Volume: 15, Issue:11, 2005
Toward a pharmacophore for drugs inducing the long QT syndrome: insights from a CoMFA study of HERG K(+) channel blockers.Journal of medicinal chemistry, , Aug-29, Volume: 45, Issue:18, 2002
Structure-Activity Relationship Studies and Plasmodium Life Cycle Profiling Identifies Pan-Active N-Aryl-3-trifluoromethyl Pyrido[1,2- a]benzimidazoles Which Are Efficacious in an in Vivo Mouse Model of Malaria.Journal of medicinal chemistry, , 01-24, Volume: 62, Issue:2, 2019
4-Aminoquinoline Antimalarials Containing a Benzylmethylpyridylmethylamine Group Are Active against Drug Resistant Plasmodium falciparum and Exhibit Oral Activity in Mice.Journal of medicinal chemistry, , 12-28, Volume: 60, Issue:24, 2017
Predicting hERG activities of compounds from their 3D structures: development and evaluation of a global descriptors based QSAR model.European journal of medicinal chemistry, , Volume: 46, Issue:2, 2011
Brain-penetrating 2-aminobenzimidazole H(1)-antihistamines for the treatment of insomnia.Bioorganic & medicinal chemistry letters, , Aug-01, Volume: 19, Issue:15, 2009
GRIND-based 3D-QSAR and CoMFA to investigate topics dominated by hydrophobic interactions: the case of hERG K+ channel blockers.European journal of medicinal chemistry, , Volume: 44, Issue:5, 2009
Support vector machines classification of hERG liabilities based on atom types.Bioorganic & medicinal chemistry, , Jun-01, Volume: 16, Issue:11, 2008
A two-state homology model of the hERG K+ channel: application to ligand binding.Bioorganic & medicinal chemistry letters, , Mar-15, Volume: 15, Issue:6, 2005
A discriminant model constructed by the support vector machine method for HERG potassium channel inhibitors.Bioorganic & medicinal chemistry letters, , Jun-02, Volume: 15, Issue:11, 2005
Prediction of hERG potassium channel affinity by traditional and hologram qSAR methods.Bioorganic & medicinal chemistry letters, , Aug-18, Volume: 13, Issue:16, 2003
Toward a pharmacophore for drugs inducing the long QT syndrome: insights from a CoMFA study of HERG K(+) channel blockers.Journal of medicinal chemistry, , Aug-29, Volume: 45, Issue:18, 2002
Support vector machines classification of hERG liabilities based on atom types.Bioorganic & medicinal chemistry, , Jun-01, Volume: 16, Issue:11, 2008
A discriminant model constructed by the support vector machine method for HERG potassium channel inhibitors.Bioorganic & medicinal chemistry letters, , Jun-02, Volume: 15, Issue:11, 2005
The pharmacophore hypotheses of I(Kr) potassium channel blockers: novel class III antiarrhythmic agents.Bioorganic & medicinal chemistry letters, , Sep-20, Volume: 14, Issue:18, 2004
Prediction of hERG potassium channel affinity by traditional and hologram qSAR methods.Bioorganic & medicinal chemistry letters, , Aug-18, Volume: 13, Issue:16, 2003
Novel Pyrrolopyridone Bromodomain and Extra-Terminal Motif (BET) Inhibitors Effective in Endocrine-Resistant ER+ Breast Cancer with Acquired Resistance to Fulvestrant and Palbociclib.Journal of medicinal chemistry, , 07-09, Volume: 63, Issue:13, 2020
Privileged scaffold-based design to identify a novel drug-like 5-HTEuropean journal of medicinal chemistry, , Aug-01, Volume: 199, 2020
Design, synthesis and biological evaluation of diamino substituted cyclobut-3-ene-1,2-dione derivatives for the treatment of drug-resistant tuberculosis.European journal of medicinal chemistry, , Nov-15, Volume: 206, 2020
Design, Synthesis, and Biological Evaluation of Novel Tetrahydroprotoberberine Derivatives (THPBs) as Selective αJournal of medicinal chemistry, , Oct-27, Volume: 59, Issue:20, 2016
Strategies to reduce HERG K+ channel blockade. Exploring heteroaromaticity and rigidity in novel pyridine analogues of dofetilide.Journal of medicinal chemistry, , Apr-11, Volume: 56, Issue:7, 2013
Simulation of multiple ion channel block provides improved early prediction of compounds' clinical torsadogenic risk.Cardiovascular research, , Jul-01, Volume: 91, Issue:1, 2011
GRIND-based 3D-QSAR and CoMFA to investigate topics dominated by hydrophobic interactions: the case of hERG K+ channel blockers.European journal of medicinal chemistry, , Volume: 44, Issue:5, 2009
Support vector machines classification of hERG liabilities based on atom types.Bioorganic & medicinal chemistry, , Jun-01, Volume: 16, Issue:11, 2008
Identification of "toxicophoric" features for predicting drug-induced QT interval prolongation.European journal of medicinal chemistry, , Volume: 43, Issue:11, 2008
Fluorescently labeled analogues of dofetilide as high-affinity fluorescence polarization ligands for the human ether-a-go-go-related gene (hERG) channel.Journal of medicinal chemistry, , Jun-28, Volume: 50, Issue:13, 2007
Overcoming HERG affinity in the discovery of the CCR5 antagonist maraviroc.Bioorganic & medicinal chemistry letters, , Sep-01, Volume: 16, Issue:17, 2006
A discriminant model constructed by the support vector machine method for HERG potassium channel inhibitors.Bioorganic & medicinal chemistry letters, , Jun-02, Volume: 15, Issue:11, 2005
The pharmacophore hypotheses of I(Kr) potassium channel blockers: novel class III antiarrhythmic agents.Bioorganic & medicinal chemistry letters, , Sep-20, Volume: 14, Issue:18, 2004
Prediction of hERG potassium channel affinity by traditional and hologram qSAR methods.Bioorganic & medicinal chemistry letters, , Aug-18, Volume: 13, Issue:16, 2003
Characterization of HERG potassium channel inhibition using CoMSiA 3D QSAR and homology modeling approaches.Bioorganic & medicinal chemistry letters, , May-19, Volume: 13, Issue:10, 2003
Toward a pharmacophore for drugs inducing the long QT syndrome: insights from a CoMFA study of HERG K(+) channel blockers.Journal of medicinal chemistry, , Aug-29, Volume: 45, Issue:18, 2002
4,5-Dihydro-3-(methanesulfonamidophenyl)-1-phenyl-1H-2,4-benzodiazepines: a novel class III antiarrhythmic agents.Journal of medicinal chemistry, , Jul-07, Volume: 38, Issue:14, 1995
Prediction of Thorough QT study results using action potential simulations based on ion channel screens.Journal of pharmacological and toxicological methods, , Volume: 70, Issue:3
The synergic modeling for the binding of fluoroquinolone antibiotics to the hERG potassium channel.Bioorganic & medicinal chemistry letters, , Jul-01, Volume: 23, Issue:13, 2013
Predicting hERG activities of compounds from their 3D structures: development and evaluation of a global descriptors based QSAR model.European journal of medicinal chemistry, , Volume: 46, Issue:2, 2011
GRIND-based 3D-QSAR and CoMFA to investigate topics dominated by hydrophobic interactions: the case of hERG K+ channel blockers.European journal of medicinal chemistry, , Volume: 44, Issue:5, 2009
Support vector machines classification of hERG liabilities based on atom types.Bioorganic & medicinal chemistry, , Jun-01, Volume: 16, Issue:11, 2008
Inhibitory effect of carboxylic acid group on hERG binding.Bioorganic & medicinal chemistry letters, , Nov-01, Volume: 16, Issue:21, 2006
A two-state homology model of the hERG K+ channel: application to ligand binding.Bioorganic & medicinal chemistry letters, , Mar-15, Volume: 15, Issue:6, 2005
A discriminant model constructed by the support vector machine method for HERG potassium channel inhibitors.Bioorganic & medicinal chemistry letters, , Jun-02, Volume: 15, Issue:11, 2005
Understanding the structure-activity relationship of the human ether-a-go-go-related gene cardiac K+ channel. A model for bad behavior.Journal of medicinal chemistry, , May-22, Volume: 46, Issue:11, 2003
Prediction of hERG potassium channel affinity by traditional and hologram qSAR methods.Bioorganic & medicinal chemistry letters, , Aug-18, Volume: 13, Issue:16, 2003
Toward a pharmacophore for drugs inducing the long QT syndrome: insights from a CoMFA study of HERG K(+) channel blockers.Journal of medicinal chemistry, , Aug-29, Volume: 45, Issue:18, 2002
Support vector machines classification of hERG liabilities based on atom types.Bioorganic & medicinal chemistry, , Jun-01, Volume: 16, Issue:11, 2008
A discriminant model constructed by the support vector machine method for HERG potassium channel inhibitors.Bioorganic & medicinal chemistry letters, , Jun-02, Volume: 15, Issue:11, 2005
The pharmacophore hypotheses of I(Kr) potassium channel blockers: novel class III antiarrhythmic agents.Bioorganic & medicinal chemistry letters, , Sep-20, Volume: 14, Issue:18, 2004
Prediction of hERG potassium channel affinity by traditional and hologram qSAR methods.Bioorganic & medicinal chemistry letters, , Aug-18, Volume: 13, Issue:16, 2003
Side chain flexibilities in the human ether-a-go-go related gene potassium channel (hERG) together with matched-pair binding studies suggest a new binding mode for channel blockers.Journal of medicinal chemistry, , Jul-23, Volume: 52, Issue:14, 2009
Support vector machines classification of hERG liabilities based on atom types.Bioorganic & medicinal chemistry, , Jun-01, Volume: 16, Issue:11, 2008
Identification of "toxicophoric" features for predicting drug-induced QT interval prolongation.European journal of medicinal chemistry, , Volume: 43, Issue:11, 2008
A discriminant model constructed by the support vector machine method for HERG potassium channel inhibitors.Bioorganic & medicinal chemistry letters, , Jun-02, Volume: 15, Issue:11, 2005
Prediction of hERG potassium channel affinity by traditional and hologram qSAR methods.Bioorganic & medicinal chemistry letters, , Aug-18, Volume: 13, Issue:16, 2003
Structure-activity relationship studies of novel pyrazole and imidazole carboxamides as cannabinoid-1 (CB1) antagonists.Bioorganic & medicinal chemistry letters, , Aug-15, Volume: 21, Issue:16, 2011
Discovery of 2-(4-((1H-1,2,4-triazol-1-yl)methyl)-5-(4-bromophenyl)-1-(2-chlorophenyl)-1H-pyrazol-3-yl)-5-tert-butyl-1,3,4-thiadiazole (GCC2680) as a potent, selective and orally efficacious cannabinoid-1 receptor antagonist.Bioorganic & medicinal chemistry, , Sep-01, Volume: 18, Issue:17, 2010
Predicting hERG activities of compounds from their 3D structures: development and evaluation of a global descriptors based QSAR model.European journal of medicinal chemistry, , Volume: 46, Issue:2, 2011
Side chain flexibilities in the human ether-a-go-go related gene potassium channel (hERG) together with matched-pair binding studies suggest a new binding mode for channel blockers.Journal of medicinal chemistry, , Jul-23, Volume: 52, Issue:14, 2009
Prediction of Thorough QT study results using action potential simulations based on ion channel screens.Journal of pharmacological and toxicological methods, , Volume: 70, Issue:3
GRIND-based 3D-QSAR and CoMFA to investigate topics dominated by hydrophobic interactions: the case of hERG K+ channel blockers.European journal of medicinal chemistry, , Volume: 44, Issue:5, 2009
Support vector machines classification of hERG liabilities based on atom types.Bioorganic & medicinal chemistry, , Jun-01, Volume: 16, Issue:11, 2008
Identification of "toxicophoric" features for predicting drug-induced QT interval prolongation.European journal of medicinal chemistry, , Volume: 43, Issue:11, 2008
A two-state homology model of the hERG K+ channel: application to ligand binding.Bioorganic & medicinal chemistry letters, , Mar-15, Volume: 15, Issue:6, 2005
Prediction of hERG potassium channel affinity by traditional and hologram qSAR methods.Bioorganic & medicinal chemistry letters, , Aug-18, Volume: 13, Issue:16, 2003
Toward a pharmacophore for drugs inducing the long QT syndrome: insights from a CoMFA study of HERG K(+) channel blockers.Journal of medicinal chemistry, , Aug-29, Volume: 45, Issue:18, 2002
The synergic modeling for the binding of fluoroquinolone antibiotics to the hERG potassium channel.Bioorganic & medicinal chemistry letters, , Jul-01, Volume: 23, Issue:13, 2013
Support vector machines classification of hERG liabilities based on atom types.Bioorganic & medicinal chemistry, , Jun-01, Volume: 16, Issue:11, 2008
The synthesis and biological evaluation of novel series of nitrile-containing fluoroquinolones as antibacterial agents.Bioorganic & medicinal chemistry letters, , Apr-15, Volume: 17, Issue:8, 2007
A discriminant model constructed by the support vector machine method for HERG potassium channel inhibitors.Bioorganic & medicinal chemistry letters, , Jun-02, Volume: 15, Issue:11, 2005
Prediction of hERG potassium channel affinity by traditional and hologram qSAR methods.Bioorganic & medicinal chemistry letters, , Aug-18, Volume: 13, Issue:16, 2003
Discovery and Optimization of DNA Gyrase and Topoisomerase IV Inhibitors with Potent Activity against Fluoroquinolone-Resistant Gram-Positive Bacteria.Journal of medicinal chemistry, , 05-13, Volume: 64, Issue:9, 2021
Novel C-7 carbon substituted fourth generation fluoroquinolones targeting N. Gonorrhoeae infections.Bioorganic & medicinal chemistry letters, , 10-15, Volume: 30, Issue:20, 2020
The synergic modeling for the binding of fluoroquinolone antibiotics to the hERG potassium channel.Bioorganic & medicinal chemistry letters, , Jul-01, Volume: 23, Issue:13, 2013
Selenophene-containing inhibitors of type IIA bacterial topoisomerases.Journal of medicinal chemistry, , May-12, Volume: 54, Issue:9, 2011
Predicting hERG activities of compounds from their 3D structures: development and evaluation of a global descriptors based QSAR model.European journal of medicinal chemistry, , Volume: 46, Issue:2, 2011
GRIND-based 3D-QSAR and CoMFA to investigate topics dominated by hydrophobic interactions: the case of hERG K+ channel blockers.European journal of medicinal chemistry, , Volume: 44, Issue:5, 2009
Support vector machines classification of hERG liabilities based on atom types.Bioorganic & medicinal chemistry, , Jun-01, Volume: 16, Issue:11, 2008
A two-state homology model of the hERG K+ channel: application to ligand binding.Bioorganic & medicinal chemistry letters, , Mar-15, Volume: 15, Issue:6, 2005
A discriminant model constructed by the support vector machine method for HERG potassium channel inhibitors.Bioorganic & medicinal chemistry letters, , Jun-02, Volume: 15, Issue:11, 2005
Prediction of hERG potassium channel affinity by traditional and hologram qSAR methods.Bioorganic & medicinal chemistry letters, , Aug-18, Volume: 13, Issue:16, 2003
Toward a pharmacophore for drugs inducing the long QT syndrome: insights from a CoMFA study of HERG K(+) channel blockers.Journal of medicinal chemistry, , Aug-29, Volume: 45, Issue:18, 2002
Prediction of Thorough QT study results using action potential simulations based on ion channel screens.Journal of pharmacological and toxicological methods, , Volume: 70, Issue:3
Support vector machines classification of hERG liabilities based on atom types.Bioorganic & medicinal chemistry, , Jun-01, Volume: 16, Issue:11, 2008
Identification of "toxicophoric" features for predicting drug-induced QT interval prolongation.European journal of medicinal chemistry, , Volume: 43, Issue:11, 2008
Prediction of hERG potassium channel affinity by traditional and hologram qSAR methods.Bioorganic & medicinal chemistry letters, , Aug-18, Volume: 13, Issue:16, 2003
Structure-Affinity Relationships (SARs) and Structure-Kinetics Relationships (SKRs) of Kv11.1 Blockers.Journal of medicinal chemistry, , Aug-13, Volume: 58, Issue:15, 2015
Removal of human ether-à-go-go related gene (hERG) K+ channel affinity through rigidity: a case of clofilium analogues.Journal of medicinal chemistry, , Dec-12, Volume: 56, Issue:23, 2013
Reinvestigating Old Pharmacophores: Are 4-Aminoquinolines and Tetraoxanes Potential Two-Stage Antimalarials?Journal of medicinal chemistry, , Jan-14, Volume: 59, Issue:1, 2016
Simulation of multiple ion channel block provides improved early prediction of compounds' clinical torsadogenic risk.Cardiovascular research, , Jul-01, Volume: 91, Issue:1, 2011
Support vector machines classification of hERG liabilities based on atom types.Bioorganic & medicinal chemistry, , Jun-01, Volume: 16, Issue:11, 2008
A discriminant model constructed by the support vector machine method for HERG potassium channel inhibitors.Bioorganic & medicinal chemistry letters, , Jun-02, Volume: 15, Issue:11, 2005
Prediction of hERG potassium channel affinity by traditional and hologram qSAR methods.Bioorganic & medicinal chemistry letters, , Aug-18, Volume: 13, Issue:16, 2003
GRIND-based 3D-QSAR and CoMFA to investigate topics dominated by hydrophobic interactions: the case of hERG K+ channel blockers.European journal of medicinal chemistry, , Volume: 44, Issue:5, 2009
Support vector machines classification of hERG liabilities based on atom types.Bioorganic & medicinal chemistry, , Jun-01, Volume: 16, Issue:11, 2008
A two-state homology model of the hERG K+ channel: application to ligand binding.Bioorganic & medicinal chemistry letters, , Mar-15, Volume: 15, Issue:6, 2005
A discriminant model constructed by the support vector machine method for HERG potassium channel inhibitors.Bioorganic & medicinal chemistry letters, , Jun-02, Volume: 15, Issue:11, 2005
Prediction of hERG potassium channel affinity by traditional and hologram qSAR methods.Bioorganic & medicinal chemistry letters, , Aug-18, Volume: 13, Issue:16, 2003
Toward a pharmacophore for drugs inducing the long QT syndrome: insights from a CoMFA study of HERG K(+) channel blockers.Journal of medicinal chemistry, , Aug-29, Volume: 45, Issue:18, 2002
Structure-activity relationships for amide-, carbamate-, and urea-linked analogues of the tuberculosis drug (6S)-2-nitro-6-{[4-(trifluoromethoxy)benzyl]oxy}-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine (PA-824).Journal of medicinal chemistry, , Jan-12, Volume: 55, Issue:1, 2012
GRIND-based 3D-QSAR and CoMFA to investigate topics dominated by hydrophobic interactions: the case of hERG K+ channel blockers.European journal of medicinal chemistry, , Volume: 44, Issue:5, 2009
Support vector machines classification of hERG liabilities based on atom types.Bioorganic & medicinal chemistry, , Jun-01, Volume: 16, Issue:11, 2008
A two-state homology model of the hERG K+ channel: application to ligand binding.Bioorganic & medicinal chemistry letters, , Mar-15, Volume: 15, Issue:6, 2005
A discriminant model constructed by the support vector machine method for HERG potassium channel inhibitors.Bioorganic & medicinal chemistry letters, , Jun-02, Volume: 15, Issue:11, 2005
Prediction of hERG potassium channel affinity by traditional and hologram qSAR methods.Bioorganic & medicinal chemistry letters, , Aug-18, Volume: 13, Issue:16, 2003
Toward a pharmacophore for drugs inducing the long QT syndrome: insights from a CoMFA study of HERG K(+) channel blockers.Journal of medicinal chemistry, , Aug-29, Volume: 45, Issue:18, 2002
A binary QSAR model for classification of hERG potassium channel blockers.Bioorganic & medicinal chemistry, , Apr-01, Volume: 16, Issue:7, 2008
The pharmacophore hypotheses of I(Kr) potassium channel blockers: novel class III antiarrhythmic agents.Bioorganic & medicinal chemistry letters, , Sep-20, Volume: 14, Issue:18, 2004
Class III antiarrhythmic activity in vivo by selective blockade of the slowly activating cardiac delayed rectifier potassium current IKs by (R)-2-(2,4-trifluoromethyl)-N-[2-oxo-5-phenyl-1-(2,2,2-trifluoroethyl)- 2, 3-dihydro-1H-benzo[e][1,4]diazepin-3-yl]Journal of medicinal chemistry, , Nov-21, Volume: 40, Issue:24, 1997
[no title available]Journal of medicinal chemistry, , 08-25, Volume: 65, Issue:16, 2022
Expansion of the S-CN-DABO scaffold to exploit the impact on inhibitory activities against the non-nucleoside HIV-1 reverse transcriptase.European journal of medicinal chemistry, , Aug-05, Volume: 238, 2022
Discovery of 1,6-Naphthyridin-2(1Journal of medicinal chemistry, , 06-09, Volume: 65, Issue:11, 2022
[no title available]Journal of medicinal chemistry, , 07-14, Volume: 65, Issue:13, 2022
Structure-Based Discovery of Novel NHJournal of medicinal chemistry, , 06-23, Volume: 65, Issue:12, 2022
Design, synthesis and biological evaluation of novel procaine derivatives for intravenous anesthesia.Bioorganic & medicinal chemistry letters, , 03-15, Volume: 60, 2022
[no title available]European journal of medicinal chemistry, , Oct-05, Volume: 240, 2022
Synthesis and biological evaluation of 1,2,4-triazole derivatives as potential Nrf2 activators for the treatment of cerebral ischemic injury.European journal of medicinal chemistry, , Jun-05, Volume: 236, 2022
[no title available]Journal of medicinal chemistry, , 10-13, Volume: 65, Issue:19, 2022
The novel therapeutic strategy of vilazodone-donepezil chimeras as potent triple-target ligands for the potential treatment of Alzheimer's disease with comorbid depression.European journal of medicinal chemistry, , Feb-05, Volume: 229, 2022
Identification of 2-substituted pyrrolo[1,2-b]pyridazine derivatives as new PARP-1 inhibitors.Bioorganic & medicinal chemistry letters, , 01-01, Volume: 31, 2021
[no title available]Journal of medicinal chemistry, , 06-10, Volume: 64, Issue:11, 2021
[no title available]Journal of medicinal chemistry, , 03-28, Volume: 62, Issue:6, 2019
Structure-Aided Identification and Optimization of Tetrahydro-isoquinolines as Novel PDE4 Inhibitors Leading to Discovery of an Effective Antipsoriasis Agent.Journal of medicinal chemistry, , 06-13, Volume: 62, Issue:11, 2019
Discovery and SAR of N-(1-((substituted piperidin-4-yl)methyl)-3-methoxypiperidin-4-yl)-2-methoxybenzamide derivatives: 5-Hydroxytryptamine receptor 4 agonist as a potent prokinetic agent.European journal of medicinal chemistry, , Feb-15, Volume: 109, 2016
1,2,4-Triazolyl 5-Azaspiro[2.4]heptanes: Lead Identification and Early Lead Optimization of a New Series of Potent and Selective Dopamine D3 Receptor Antagonists.Journal of medicinal chemistry, , 09-22, Volume: 59, Issue:18, 2016
1,2,4-Triazolyl octahydropyrrolo[2,3-b]pyrroles: A new series of potent and selective dopamine D3 receptor antagonists.Bioorganic & medicinal chemistry, , Apr-15, Volume: 24, Issue:8, 2016
Novel morpholine scaffolds as selective dopamine (DA) D3 receptor antagonists.Bioorganic & medicinal chemistry letters, , Feb-15, Volume: 26, Issue:4, 2016
1,2,4-Triazolyl azabicyclo[3.1.0]hexanes: a new series of potent and selective dopamine D(3) receptor antagonists.Journal of medicinal chemistry, , Jan-14, Volume: 53, Issue:1, 2010
Dopamine D3 receptor antagonists: the quest for a potentially selective PET ligand. Part one: lead identification.Bioorganic & medicinal chemistry letters, , Aug-15, Volume: 19, Issue:16, 2009
Dopamine D3 receptor antagonists: the quest for a potentially selective PET ligand. Part 3: Radiosynthesis and in vivo studies.Bioorganic & medicinal chemistry letters, , Sep-01, Volume: 19, Issue:17, 2009
New fused benzazepine as selective D3 receptor antagonists. Synthesis and biological evaluation. Part 2: [g]-fused and hetero-fused systems.Bioorganic & medicinal chemistry letters, , Feb-01, Volume: 18, Issue:3, 2008
New fused benzazepine as selective D3 receptor antagonists. Synthesis and biological evaluation. Part one: [h]-fused tricyclic systems.Bioorganic & medicinal chemistry letters, , Feb-01, Volume: 18, Issue:3, 2008
1,2,4-triazol-3-yl-thiopropyl-tetrahydrobenzazepines: a series of potent and selective dopamine D(3) receptor antagonists.Journal of medicinal chemistry, , Oct-18, Volume: 50, Issue:21, 2007
The pharmacophore hypotheses of I(Kr) potassium channel blockers: novel class III antiarrhythmic agents.Bioorganic & medicinal chemistry letters, , Sep-20, Volume: 14, Issue:18, 2004
Class III antiarrhythmic activity in vivo by selective blockade of the slowly activating cardiac delayed rectifier potassium current IKs by (R)-2-(2,4-trifluoromethyl)-N-[2-oxo-5-phenyl-1-(2,2,2-trifluoroethyl)- 2, 3-dihydro-1H-benzo[e][1,4]diazepin-3-yl]Journal of medicinal chemistry, , Nov-21, Volume: 40, Issue:24, 1997
Non-basic ligands for aminergic GPCRs: the discovery and development diaryl sulfones as selective, orally bioavailable 5-HT2A receptor antagonists for the treatment of sleep disorders.Bioorganic & medicinal chemistry letters, , Jun-15, Volume: 20, Issue:12, 2010
Side chain flexibilities in the human ether-a-go-go related gene potassium channel (hERG) together with matched-pair binding studies suggest a new binding mode for channel blockers.Journal of medicinal chemistry, , Jul-23, Volume: 52, Issue:14, 2009
4-Fluorosulfonylpiperidines: selective 5-HT2A ligands for the treatment of insomnia.Bioorganic & medicinal chemistry letters, , Aug-15, Volume: 15, Issue:16, 2005
4-(Phenylsulfonyl)piperidines: novel, selective, and bioavailable 5-HT(2A) receptor antagonists.Journal of medicinal chemistry, , Jan-17, Volume: 45, Issue:2, 2002
Design, Synthesis, and Biological Evaluation of Novel Tetrahydroprotoberberine Derivatives (THPBs) as Selective αJournal of medicinal chemistry, , Oct-27, Volume: 59, Issue:20, 2016
Prediction of Thorough QT study results using action potential simulations based on ion channel screens.Journal of pharmacological and toxicological methods, , Volume: 70, Issue:3
Design, synthesis and biological evaluation of indolin-2-one-based derivatives as potent, selective and efficacious inhibitors of FMS-like tyrosine kinase3 (FLT3).European journal of medicinal chemistry, , Feb-15, Volume: 127, 2017
Synthesis and in vivo SAR study of indolin-2-one-based multi-targeted inhibitors as potential anticancer agents.European journal of medicinal chemistry, , Jul-23, Volume: 82, 2014
Prediction of Thorough QT study results using action potential simulations based on ion channel screens.Journal of pharmacological and toxicological methods, , Volume: 70, Issue:3
Discovery and preclinical profile of sudapyridine (WX-081), a novel anti-tuberculosis agent.Bioorganic & medicinal chemistry letters, , 09-01, Volume: 71, 2022
Synthesis and evaluation of pyridine-derived bedaquiline analogues containing modifications at the A-ring subunit.RSC medicinal chemistry, , Jun-23, Volume: 12, Issue:6, 2021
Variations in the C-unit of bedaquiline provides analogues with improved biology and pharmacology.Bioorganic & medicinal chemistry, , 01-01, Volume: 28, Issue:1, 2020
3,5-Dialkoxypyridine analogues of bedaquiline are potent antituberculosis agents with minimal inhibition of the hERG channel.Bioorganic & medicinal chemistry, , 04-01, Volume: 27, Issue:7, 2019
Structure-activity relationships for unit C pyridyl analogues of the tuberculosis drug bedaquiline.Bioorganic & medicinal chemistry, , 04-01, Volume: 27, Issue:7, 2019
Structure-activity relationships for analogs of the tuberculosis drug bedaquiline with the naphthalene unit replaced by bicyclic heterocycles.Bioorganic & medicinal chemistry, , 05-01, Volume: 26, Issue:8, 2018
Synthesis and evaluation of analogues of the tuberculosis drug bedaquiline containing heterocyclic B-ring units.Bioorganic & medicinal chemistry letters, , 12-01, Volume: 27, Issue:23, 2017
[no title available]ACS medicinal chemistry letters, , Oct-12, Volume: 8, Issue:10, 2017
3-Hydroxy-N'-arylidenepropanehydrazonamides with Halo-Substituted Phenanthrene Scaffolds Cure P. berghei Infected Mice When Administered Perorally.Journal of medicinal chemistry, , 07-27, Volume: 60, Issue:14, 2017
Predicting hERG activities of compounds from their 3D structures: development and evaluation of a global descriptors based QSAR model.European journal of medicinal chemistry, , Volume: 46, Issue:2, 2011
The pharmacophore hypotheses of I(Kr) potassium channel blockers: novel class III antiarrhythmic agents.Bioorganic & medicinal chemistry letters, , Sep-20, Volume: 14, Issue:18, 2004
Optimization of the in vitro cardiac safety of hydroxamate-based histone deacetylase inhibitors.Journal of medicinal chemistry, , Jul-14, Volume: 54, Issue:13, 2011
The design, synthesis and structure-activity relationships of novel isoindoline-based histone deacetylase inhibitors.Bioorganic & medicinal chemistry letters, , Aug-15, Volume: 21, Issue:16, 2011
Conformational refinement of hydroxamate-based histone deacetylase inhibitors and exploration of 3-piperidin-3-ylindole analogues of dacinostat (LAQ824).Journal of medicinal chemistry, , Apr-08, Volume: 53, Issue:7, 2010
Expansion of the S-CN-DABO scaffold to exploit the impact on inhibitory activities against the non-nucleoside HIV-1 reverse transcriptase.European journal of medicinal chemistry, , Aug-05, Volume: 238, 2022
Structure-Based Discovery of Novel NHJournal of medicinal chemistry, , 06-23, Volume: 65, Issue:12, 2022
[no title available]Journal of medicinal chemistry, , 09-23, Volume: 64, Issue:18, 2021
[no title available]Journal of medicinal chemistry, , 05-14, Volume: 63, Issue:9, 2020
Discovery and Characterization of Fluorine-Substituted Diarylpyrimidine Derivatives as Novel HIV-1 NNRTIs with Highly Improved Resistance Profiles and Low Activity for the hERG Ion Channel.Journal of medicinal chemistry, , 02-13, Volume: 63, Issue:3, 2020
Antagonists of the calcium receptor. 2. Amino alcohol-based parathyroid hormone secretagogues.Journal of medicinal chemistry, , Nov-12, Volume: 52, Issue:21, 2009
Discovery and structure-activity relationships of 2-benzylpyrrolidine-substituted aryloxypropanols as calcium-sensing receptor antagonists.Bioorganic & medicinal chemistry letters, , Feb-15, Volume: 15, Issue:4, 2005
Optimization of the in vitro cardiac safety of hydroxamate-based histone deacetylase inhibitors.Journal of medicinal chemistry, , Jul-14, Volume: 54, Issue:13, 2011
The design, synthesis and structure-activity relationships of novel isoindoline-based histone deacetylase inhibitors.Bioorganic & medicinal chemistry letters, , Aug-15, Volume: 21, Issue:16, 2011
Predicting hERG activities of compounds from their 3D structures: development and evaluation of a global descriptors based QSAR model.European journal of medicinal chemistry, , Volume: 46, Issue:2, 2011
GRIND-based 3D-QSAR and CoMFA to investigate topics dominated by hydrophobic interactions: the case of hERG K+ channel blockers.European journal of medicinal chemistry, , Volume: 44, Issue:5, 2009
Support vector machines classification of hERG liabilities based on atom types.Bioorganic & medicinal chemistry, , Jun-01, Volume: 16, Issue:11, 2008
A discriminant model constructed by the support vector machine method for HERG potassium channel inhibitors.Bioorganic & medicinal chemistry letters, , Jun-02, Volume: 15, Issue:11, 2005
The pharmacophore hypotheses of I(Kr) potassium channel blockers: novel class III antiarrhythmic agents.Bioorganic & medicinal chemistry letters, , Sep-20, Volume: 14, Issue:18, 2004
Prediction of hERG potassium channel affinity by traditional and hologram qSAR methods.Bioorganic & medicinal chemistry letters, , Aug-18, Volume: 13, Issue:16, 2003
Toward a pharmacophore for drugs inducing the long QT syndrome: insights from a CoMFA study of HERG K(+) channel blockers.Journal of medicinal chemistry, , Aug-29, Volume: 45, Issue:18, 2002
Novel and highly potent histamine H3 receptor ligands. Part 1: withdrawing of hERG activity.Bioorganic & medicinal chemistry letters, , Sep-15, Volume: 21, Issue:18, 2011
In vitro studies on a class of quinoline containing histamine H3 antagonists.Bioorganic & medicinal chemistry letters, , Jun-01, Volume: 20, Issue:11, 2010
Optimization of the in vitro cardiac safety of hydroxamate-based histone deacetylase inhibitors.Journal of medicinal chemistry, , Jul-14, Volume: 54, Issue:13, 2011
The design, synthesis and structure-activity relationships of novel isoindoline-based histone deacetylase inhibitors.Bioorganic & medicinal chemistry letters, , Aug-15, Volume: 21, Issue:16, 2011
Class III antiarrhythmic activity in vivo by selective blockade of the slowly activating cardiac delayed rectifier potassium current IKs by (R)-2-(2,4-trifluoromethyl)-N-[2-oxo-5-phenyl-1-(2,2,2-trifluoroethyl)- 2, 3-dihydro-1H-benzo[e][1,4]diazepin-3-yl]Journal of medicinal chemistry, , Nov-21, Volume: 40, Issue:24, 1997
Discovery of a piperazine urea based compound as a potent, selective, orally bioavailable melanocortin subtype-4 receptor partial agonist.Bioorganic & medicinal chemistry letters, , Apr-15, Volume: 21, Issue:8, 2011
Discovery of N-[(4R)-6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-2,2-dimethyl-3,4-dihydro-2H-pyrano[2,3-b]pyridin-4-yl]-5-methyl-1H-pyrazole-3-carboxamide (MK-5596) as a novel cannabinoid-1 receptor (CB1R) inverse agonist for the treatment of obesity.Journal of medicinal chemistry, , May-27, Volume: 53, Issue:10, 2010
Identification of "toxicophoric" features for predicting drug-induced QT interval prolongation.European journal of medicinal chemistry, , Volume: 43, Issue:11, 2008
Factor Xa inhibitors: next-generation antithrombotic agents.Journal of medicinal chemistry, , Sep-09, Volume: 53, Issue:17, 2010
Discovery of betrixaban (PRT054021), N-(5-chloropyridin-2-yl)-2-(4-(N,N-dimethylcarbamimidoyl)benzamido)-5-methoxybenzamide, a highly potent, selective, and orally efficacious factor Xa inhibitor.Bioorganic & medicinal chemistry letters, , Apr-15, Volume: 19, Issue:8, 2009
Discovery and preclinical evaluation of [4-[[1-(3-fluorophenyl)methyl]-1H-indazol-5-ylamino]-5-methylpyrrolo[2,1-f][1,2,4]triazin-6-yl]carbamic acid, (3S)-3-morpholinylmethyl ester (BMS-599626), a selective and orally efficacious inhibitor of human epiderJournal of medicinal chemistry, , Nov-12, Volume: 52, Issue:21, 2009
Non-basic ligands for aminergic GPCRs: the discovery and development diaryl sulfones as selective, orally bioavailable 5-HT2A receptor antagonists for the treatment of sleep disorders.Bioorganic & medicinal chemistry letters, , Jun-15, Volume: 20, Issue:12, 2010
Side chain flexibilities in the human ether-a-go-go related gene potassium channel (hERG) together with matched-pair binding studies suggest a new binding mode for channel blockers.Journal of medicinal chemistry, , Jul-23, Volume: 52, Issue:14, 2009
A new class of selective, non-basic 5-HT2A receptor antagonists.Bioorganic & medicinal chemistry letters, , Jun-15, Volume: 16, Issue:12, 2006
4-Fluorosulfonylpiperidines: selective 5-HT2A ligands for the treatment of insomnia.Bioorganic & medicinal chemistry letters, , Aug-15, Volume: 15, Issue:16, 2005
4-(Phenylsulfonyl)piperidines: novel, selective, and bioavailable 5-HT(2A) receptor antagonists.Journal of medicinal chemistry, , Jan-17, Volume: 45, Issue:2, 2002
Adventures in Scaffold Morphing: Discovery of Fused Ring Heterocyclic Checkpoint Kinase 1 (CHK1) Inhibitors.Journal of medicinal chemistry, , 02-08, Volume: 61, Issue:3, 2018
Discovery of checkpoint kinase inhibitor (S)-5-(3-fluorophenyl)-N-(piperidin-3-yl)-3-ureidothiophene-2-carboxamide (AZD7762) by structure-based design and optimization of thiophenecarboxamide ureas.Journal of medicinal chemistry, , Jun-14, Volume: 55, Issue:11, 2012
Discovery of 2-(4-((1H-1,2,4-triazol-1-yl)methyl)-5-(4-bromophenyl)-1-(2-chlorophenyl)-1H-pyrazol-3-yl)-5-tert-butyl-1,3,4-thiadiazole (GCC2680) as a potent, selective and orally efficacious cannabinoid-1 receptor antagonist.Bioorganic & medicinal chemistry, , Sep-01, Volume: 18, Issue:17, 2010
Side chain flexibilities in the human ether-a-go-go related gene potassium channel (hERG) together with matched-pair binding studies suggest a new binding mode for channel blockers.Journal of medicinal chemistry, , Jul-23, Volume: 52, Issue:14, 2009
An integrated in silico 3D model-driven discovery of a novel, potent, and selective amidosulfonamide 5-HT1A agonist (PRX-00023) for the treatment of anxiety and depression.Journal of medicinal chemistry, , Jun-01, Volume: 49, Issue:11, 2006
Identification of a 5-[3-phenyl-(2-cyclic-ether)-methylether]-4-aminopyrrolo[2,3-d]pyrimidine series of IGF-1R inhibitors.Bioorganic & medicinal chemistry letters, , Apr-15, Volume: 26, Issue:8, 2016
Optimisation of a 5-[3-phenyl-(2-cyclic-ether)-methyl-ether]-4-aminopyrrolopyrimidine series of IGF-1R inhibitors.Bioorganic & medicinal chemistry letters, , Apr-15, Volume: 26, Issue:8, 2016
Novel and highly potent histamine H3 receptor ligands. Part 1: withdrawing of hERG activity.Bioorganic & medicinal chemistry letters, , Sep-15, Volume: 21, Issue:18, 2011
Synthesis, structure-activity relationships, and biological profiles of a quinazolinone class of histamine H3 receptor inverse agonists.Journal of medicinal chemistry, , Aug-14, Volume: 51, Issue:15, 2008
Discovery of 2-[3,5-dichloro-4-(5-isopropyl-6-oxo-1,6-dihydropyridazin-3-yloxy)phenyl]-3,5-dioxo-2,3,4,5-tetrahydro[1,2,4]triazine-6-carbonitrile (MGL-3196), a Highly Selective Thyroid Hormone Receptor β agonist in clinical trials for the treatment of dysJournal of medicinal chemistry, , May-22, Volume: 57, Issue:10, 2014
The discovery of quinoline based single-ligand human HBioorganic & medicinal chemistry letters, , 12-15, Volume: 26, Issue:24, 2016
Synthesis and pharmacological investigation of azaphthalazinone human histamine H(1) receptor antagonists.Bioorganic & medicinal chemistry, , Oct-15, Volume: 20, Issue:20, 2012
The discovery of phthalazinone-based human H1 and H3 single-ligand antagonists suitable for intranasal administration for the treatment of allergic rhinitis.Journal of medicinal chemistry, , Apr-14, Volume: 54, Issue:7, 2011
Imidazo[1,2-a]pyrazines as novel PI3K inhibitors.Bioorganic & medicinal chemistry letters, , Mar-01, Volume: 22, Issue:5, 2012
The identification of 2-(1H-indazol-4-yl)-6-(4-methanesulfonyl-piperazin-1-ylmethyl)-4-morpholin-4-yl-thieno[3,2-d]pyrimidine (GDC-0941) as a potent, selective, orally bioavailable inhibitor of class I PI3 kinase for the treatment of cancer .Journal of medicinal chemistry, , Sep-25, Volume: 51, Issue:18, 2008
Design, synthesis, and structure-activity relationships of novel imidazo[4,5-c]pyridine derivatives as potent non-nucleoside inhibitors of hepatitis C virus NS5B.Bioorganic & medicinal chemistry, , 05-15, Volume: 26, Issue:9, 2018
Imidazopyridazine hepatitis C virus polymerase inhibitors. Structure-activity relationship studies and the discovery of a novel, traceless prodrug mechanism.Journal of medicinal chemistry, , Mar-13, Volume: 57, Issue:5, 2014
Aminothiazolones as potent, selective and cell active inhibitors of the PIM kinase family.Bioorganic & medicinal chemistry, , 11-15, Volume: 28, Issue:22, 2020
Discovery of novel triazolo[4,3-b]pyridazin-3-yl-quinoline derivatives as PIM inhibitors.European journal of medicinal chemistry, , Apr-15, Volume: 168, 2019
Synthesis and Biological Evaluation of Pyrazolo[1,5-a]pyrimidine Compounds as Potent and Selective Pim-1 Inhibitors.ACS medicinal chemistry letters, , Jan-08, Volume: 6, Issue:1, 2015
Rational evolution of a novel type of potent and selective proviral integration site in Moloney murine leukemia virus kinase 1 (PIM1) inhibitor from a screening-hit compound.Journal of medicinal chemistry, , Jun-14, Volume: 55, Issue:11, 2012
Discovery and Evaluation of Pyrazolo[3,4-ACS medicinal chemistry letters, , Oct-08, Volume: 11, Issue:10, 2020
Optimization of the efflux ratio and permeability of covalent irreversible BTK inhibitors.Bioorganic & medicinal chemistry letters, , 11-01, Volume: 28, Issue:20, 2018
Discovery of potent, highly selective covalent irreversible BTK inhibitors from a fragment hit.Bioorganic & medicinal chemistry letters, , 09-15, Volume: 28, Issue:17, 2018
[no title available]Journal of medicinal chemistry, , 06-10, Volume: 64, Issue:11, 2021
Accelerated Discovery of Novel Ponatinib Analogs with Improved Properties for the Treatment of Parkinson's Disease.ACS medicinal chemistry letters, , Apr-09, Volume: 11, Issue:4, 2020
A comprehensive review on Aurora kinase: Small molecule inhibitors and clinical trial studies.European journal of medicinal chemistry, , Nov-10, Volume: 140, 2017
Optimization of imidazo[4,5-b]pyridine-based kinase inhibitors: identification of a dual FLT3/Aurora kinase inhibitor as an orally bioavailable preclinical development candidate for the treatment of acute myeloid leukemia.Journal of medicinal chemistry, , Oct-25, Volume: 55, Issue:20, 2012
Development of autotaxin inhibitors: A series of zinc binding triazoles.Bioorganic & medicinal chemistry letters, , 07-15, Volume: 28, Issue:13, 2018
Discovery of BI-2545: A Novel Autotaxin Inhibitor That Significantly Reduces LPA Levels in Vivo.ACS medicinal chemistry letters, , Dec-14, Volume: 8, Issue:12, 2017
Lead optimization of a pyrazole sulfonamide series of Trypanosoma brucei N-myristoyltransferase inhibitors: identification and evaluation of CNS penetrant compounds as potential treatments for stage 2 human African trypanosomiasis.Journal of medicinal chemistry, , Dec-11, Volume: 57, Issue:23, 2014
Discovery of a novel class of orally active trypanocidal N-myristoyltransferase inhibitors.Journal of medicinal chemistry, , Jan-12, Volume: 55, Issue:1, 2012
EST64454: a Highly Soluble σJournal of medicinal chemistry, , 12-10, Volume: 63, Issue:23, 2020
Discovery of EST73502, a Dual μ-Opioid Receptor Agonist and σJournal of medicinal chemistry, , 12-24, Volume: 63, Issue:24, 2020
Synthesis and structure-activity relationship study of a new series of selective σ(1) receptor ligands for the treatment of pain: 4-aminotriazoles.Journal of medicinal chemistry, , Mar-12, Volume: 58, Issue:5, 2015
Synthesis and biological evaluation of the 1-arylpyrazole class of σ(1) receptor antagonists: identification of 4-{2-[5-methyl-1-(naphthalen-2-yl)-1H-pyrazol-3-yloxy]ethyl}morpholine (S1RA, E-52862).Journal of medicinal chemistry, , Oct-11, Volume: 55, Issue:19, 2012
Discovery and profiling of a selective and efficacious Syk inhibitor.Journal of medicinal chemistry, , Feb-26, Volume: 58, Issue:4, 2015
Syk inhibitors with high potency in presence of blood.Bioorganic & medicinal chemistry letters, , May-15, Volume: 24, Issue:10, 2014
Pyrrolopyrazines as selective spleen tyrosine kinase inhibitors.Journal of medicinal chemistry, , Feb-28, Volume: 56, Issue:4, 2013
An insight into the recent development of the clinical candidates for the treatment of malaria and their target proteins.European journal of medicinal chemistry, , Jan-15, Volume: 210, 2021
The Development Process for Discovery and Clinical Advancement of Modern Antimalarials.Journal of medicinal chemistry, , 12-12, Volume: 62, Issue:23, 2019
Spiroindolones, a potent compound class for the treatment of malaria.Science (New York, N.Y.), , Sep-03, Volume: 329, Issue:5996, 2010
Structure-activity-relationship of amide and sulfonamide analogs of omarigliptin.Bioorganic & medicinal chemistry letters, , Dec-15, Volume: 25, Issue:24, 2015
Omarigliptin (MK-3102): a novel long-acting DPP-4 inhibitor for once-weekly treatment of type 2 diabetes.Journal of medicinal chemistry, , Apr-24, Volume: 57, Issue:8, 2014
Discovery and Characterization of AZD6738, a Potent Inhibitor of Ataxia Telangiectasia Mutated and Rad3 Related (ATR) Kinase with Application as an Anticancer Agent.Journal of medicinal chemistry, , 11-21, Volume: 61, Issue:22, 2018
Discovery of 4-{4-[(3R)-3-Methylmorpholin-4-yl]-6-[1-(methylsulfonyl)cyclopropyl]pyrimidin-2-yl}-1H-indole (AZ20): a potent and selective inhibitor of ATR protein kinase with monotherapy in vivo antitumor activity.Journal of medicinal chemistry, , Mar-14, Volume: 56, Issue:5, 2013
Design, synthesis and evaluation of (MedChemComm, , Mar-01, Volume: 9, Issue:3, 2018
Development of selective inhibitors for the treatment of rheumatoid arthritis: (R)-3-(3-(Methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino)pyrrolidin-1-yl)-3-oxopropanenitrile as a JAK1-selective inhibitor.Bioorganic & medicinal chemistry, , 05-01, Volume: 26, Issue:8, 2018
Triazolopyridines as selective JAK1 inhibitors: from hit identification to GLPG0634.Journal of medicinal chemistry, , Nov-26, Volume: 57, Issue:22, 2014
Discovery of raltegravir, a potent, selective orally bioavailable HIV-integrase inhibitor for the treatment of HIV-AIDS infection.Journal of medicinal chemistry, , Sep-25, Volume: 51, Issue:18, 2008
Prediction of Thorough QT study results using action potential simulations based on ion channel screens.Journal of pharmacological and toxicological methods, , Volume: 70, Issue:3
Discovery of N-((4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-5-(6-methylpyridin-2-yl)-1H-imidazol-2-yl)methyl)-2-fluoroaniline (EW-7197): a highly potent, selective, and orally bioavailable inhibitor of TGF-β type I receptor kinase as cancer immunotherapeutic/Journal of medicinal chemistry, , May-22, Volume: 57, Issue:10, 2014
LDK378: a promising anaplastic lymphoma kinase (ALK) inhibitor.Journal of medicinal chemistry, , Jul-25, Volume: 56, Issue:14, 2013
Synthesis, structure-activity relationships, and in vivo efficacy of the novel potent and selective anaplastic lymphoma kinase (ALK) inhibitor 5-chloro-N2-(2-isopropoxy-5-methyl-4-(piperidin-4-yl)phenyl)-N4-(2-(isopropylsulfonyl)phenyl)pyrimidine-2,4-diamJournal of medicinal chemistry, , Jul-25, Volume: 56, Issue:14, 2013
[no title available]European journal of medicinal chemistry, , Jan-15, Volume: 228, 2022
Structure-activity relationships and discovery of a G protein biased μ opioid receptor ligand, [(3-methoxythiophen-2-yl)methyl]({2-[(9R)-9-(pyridin-2-yl)-6-oxaspiro-[4.5]decan-9-yl]ethyl})amine (TRV130), for the treatment of acute severe pain.Journal of medicinal chemistry, , Oct-24, Volume: 56, Issue:20, 2013
Design, synthesis, SAR discussion, in vitro and in vivo evaluation of novel selective EGFR modulator to inhibit L858R/T790M double mutants.European journal of medicinal chemistry, , Jul-28, Volume: 135, 2017
Discovery of a potent and selective EGFR inhibitor (AZD9291) of both sensitizing and T790M resistance mutations that spares the wild type form of the receptor.Journal of medicinal chemistry, , Oct-23, Volume: 57, Issue:20, 2014
[no title available]Bioorganic & medicinal chemistry letters, , 11-01, Volume: 30, Issue:21, 2020
Synthesis and biological investigation of coumarin piperazine (piperidine) derivatives as potential multireceptor atypical antipsychotics.Journal of medicinal chemistry, , Jun-13, Volume: 56, Issue:11, 2013
Predicting hERG activities of compounds from their 3D structures: development and evaluation of a global descriptors based QSAR model.European journal of medicinal chemistry, , Volume: 46, Issue:2, 2011
Discovery of bishomo(hetero)arylpiperazines as novel multifunctional ligands targeting dopamine D(3) and serotonin 5-HT(1A) and 5-HT(2A) receptors.Journal of medicinal chemistry, , Jun-24, Volume: 53, Issue:12, 2010
Discovery of a new class of potential multifunctional atypical antipsychotic agents targeting dopamine D3 and serotonin 5-HT1A and 5-HT2A receptors: design, synthesis, and effects on behavior.Journal of medicinal chemistry, , Jan-08, Volume: 52, Issue:1, 2009
GRIND-based 3D-QSAR and CoMFA to investigate topics dominated by hydrophobic interactions: the case of hERG K+ channel blockers.European journal of medicinal chemistry, , Volume: 44, Issue:5, 2009
Side chain flexibilities in the human ether-a-go-go related gene potassium channel (hERG) together with matched-pair binding studies suggest a new binding mode for channel blockers.Journal of medicinal chemistry, , Jul-23, Volume: 52, Issue:14, 2009
Support vector machines classification of hERG liabilities based on atom types.Bioorganic & medicinal chemistry, , Jun-01, Volume: 16, Issue:11, 2008
Fluorescently labeled analogues of dofetilide as high-affinity fluorescence polarization ligands for the human ether-a-go-go-related gene (hERG) channel.Journal of medicinal chemistry, , Jun-28, Volume: 50, Issue:13, 2007
A two-state homology model of the hERG K+ channel: application to ligand binding.Bioorganic & medicinal chemistry letters, , Mar-15, Volume: 15, Issue:6, 2005
A discriminant model constructed by the support vector machine method for HERG potassium channel inhibitors.Bioorganic & medicinal chemistry letters, , Jun-02, Volume: 15, Issue:11, 2005
Prediction of hERG potassium channel affinity by traditional and hologram qSAR methods.Bioorganic & medicinal chemistry letters, , Aug-18, Volume: 13, Issue:16, 2003
Toward a pharmacophore for drugs inducing the long QT syndrome: insights from a CoMFA study of HERG K(+) channel blockers.Journal of medicinal chemistry, , Aug-29, Volume: 45, Issue:18, 2002
[no title available],
Predicting hERG activities of compounds from their 3D structures: development and evaluation of a global descriptors based QSAR model.European journal of medicinal chemistry, , Volume: 46, Issue:2, 2011
GRIND-based 3D-QSAR and CoMFA to investigate topics dominated by hydrophobic interactions: the case of hERG K+ channel blockers.European journal of medicinal chemistry, , Volume: 44, Issue:5, 2009
Side chain flexibilities in the human ether-a-go-go related gene potassium channel (hERG) together with matched-pair binding studies suggest a new binding mode for channel blockers.Journal of medicinal chemistry, , Jul-23, Volume: 52, Issue:14, 2009
Support vector machines classification of hERG liabilities based on atom types.Bioorganic & medicinal chemistry, , Jun-01, Volume: 16, Issue:11, 2008
A discriminant model constructed by the support vector machine method for HERG potassium channel inhibitors.Bioorganic & medicinal chemistry letters, , Jun-02, Volume: 15, Issue:11, 2005
Prediction of hERG potassium channel affinity by traditional and hologram qSAR methods.Bioorganic & medicinal chemistry letters, , Aug-18, Volume: 13, Issue:16, 2003
Toward a pharmacophore for drugs inducing the long QT syndrome: insights from a CoMFA study of HERG K(+) channel blockers.Journal of medicinal chemistry, , Aug-29, Volume: 45, Issue:18, 2002
Prediction of Thorough QT study results using action potential simulations based on ion channel screens.Journal of pharmacological and toxicological methods, , Volume: 70, Issue:3
Predicting hERG activities of compounds from their 3D structures: development and evaluation of a global descriptors based QSAR model.European journal of medicinal chemistry, , Volume: 46, Issue:2, 2011
Discovery of bishomo(hetero)arylpiperazines as novel multifunctional ligands targeting dopamine D(3) and serotonin 5-HT(1A) and 5-HT(2A) receptors.Journal of medicinal chemistry, , Jun-24, Volume: 53, Issue:12, 2010
Discovery of a new class of potential multifunctional atypical antipsychotic agents targeting dopamine D3 and serotonin 5-HT1A and 5-HT2A receptors: design, synthesis, and effects on behavior.Journal of medicinal chemistry, , Jan-08, Volume: 52, Issue:1, 2009
Side chain flexibilities in the human ether-a-go-go related gene potassium channel (hERG) together with matched-pair binding studies suggest a new binding mode for channel blockers.Journal of medicinal chemistry, , Jul-23, Volume: 52, Issue:14, 2009
Support vector machines classification of hERG liabilities based on atom types.Bioorganic & medicinal chemistry, , Jun-01, Volume: 16, Issue:11, 2008
A binary QSAR model for classification of hERG potassium channel blockers.Bioorganic & medicinal chemistry, , Apr-01, Volume: 16, Issue:7, 2008
A discriminant model constructed by the support vector machine method for HERG potassium channel inhibitors.Bioorganic & medicinal chemistry letters, , Jun-02, Volume: 15, Issue:11, 2005
Prediction of hERG potassium channel affinity by traditional and hologram qSAR methods.Bioorganic & medicinal chemistry letters, , Aug-18, Volume: 13, Issue:16, 2003
[no title available],
Predicting hERG activities of compounds from their 3D structures: development and evaluation of a global descriptors based QSAR model.European journal of medicinal chemistry, , Volume: 46, Issue:2, 2011
Side chain flexibilities in the human ether-a-go-go related gene potassium channel (hERG) together with matched-pair binding studies suggest a new binding mode for channel blockers.Journal of medicinal chemistry, , Jul-23, Volume: 52, Issue:14, 2009
Support vector machines classification of hERG liabilities based on atom types.Bioorganic & medicinal chemistry, , Jun-01, Volume: 16, Issue:11, 2008
Prediction of hERG potassium channel affinity by traditional and hologram qSAR methods.Bioorganic & medicinal chemistry letters, , Aug-18, Volume: 13, Issue:16, 2003
Predicting hERG activities of compounds from their 3D structures: development and evaluation of a global descriptors based QSAR model.European journal of medicinal chemistry, , Volume: 46, Issue:2, 2011
Side chain flexibilities in the human ether-a-go-go related gene potassium channel (hERG) together with matched-pair binding studies suggest a new binding mode for channel blockers.Journal of medicinal chemistry, , Jul-23, Volume: 52, Issue:14, 2009
Identification of "toxicophoric" features for predicting drug-induced QT interval prolongation.European journal of medicinal chemistry, , Volume: 43, Issue:11, 2008
Discovery and Characterization of (8S,9R)-5-Fluoro-8-(4-fluorophenyl)-9-(1-methyl-1H-1,2,4-triazol-5-yl)-2,7,8,9-tetrahydro-3H-pyrido[4,3,2-de]phthalazin-3-one (BMN 673, Talazoparib), a Novel, Highly Potent, and Orally Efficacious Poly(ADP-ribose) PolymerJournal of medicinal chemistry, , Jan-14, Volume: 59, Issue:1, 2016
Identification, synthesis, and biological evaluation of 6-[(6R)-2-(4-fluorophenyl)-6-(hydroxymethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl]-2-(2-methylphenyl)pyridazin-3(2H)-one (AS1940477), a potent p38 MAP kinase inhibitor.Journal of medicinal chemistry, , Sep-13, Volume: 55, Issue:17, 2012
Enables
This protein enables 12 target(s):
| Target | Category | Definition |
|---|
| transcription cis-regulatory region binding | molecular function | Binding to a specific sequence of DNA that is part of a regulatory region that controls transcription of that section of the DNA. The transcribed region might be described as a gene, cistron, or operon. [GOC:txnOH] |
| inward rectifier potassium channel activity | molecular function | Enables the transmembrane transfer of a potassium ion by an inwardly-rectifying voltage-gated channel. An inwardly rectifying current-voltage relation is one where at any given driving force the inward flow of K+ ions exceeds the outward flow for the opposite driving force. The inward-rectification is due to a voltage-dependent block of the channel pore by a specific ligand or ligands, and as a result the macroscopic conductance depends on the difference between membrane voltage and the K+ equilibrium potential rather than on membrane voltage itself. [GOC:cb, GOC:mah, PMID:14977398] |
| voltage-gated potassium channel activity | molecular function | Enables the transmembrane transfer of a potassium ion by a voltage-gated channel. A voltage-gated channel is a channel whose open state is dependent on the voltage across the membrane in which it is embedded. [GOC:mtg_transport, ISBN:0815340729] |
| delayed rectifier potassium channel activity | molecular function | Enables the transmembrane transfer of a potassium ion by a delayed rectifying voltage-gated channel. A delayed rectifying current-voltage relation is one where channel activation kinetics are time-dependent, and inactivation is slow. [GOC:mah, PMID:11343411, PMID:2462513] |
| protein binding | molecular function | Binding to a protein. [GOC:go_curators] |
| ubiquitin protein ligase binding | molecular function | Binding to a ubiquitin protein ligase enzyme, any of the E3 proteins. [GOC:vp] |
| identical protein binding | molecular function | Binding to an identical protein or proteins. [GOC:jl] |
| protein homodimerization activity | molecular function | Binding to an identical protein to form a homodimer. [GOC:jl] |
| C3HC4-type RING finger domain binding | molecular function | Binding to a C3HC4-type zinc finger domain of a protein. The C3HC4-type zinc finger is a variant of RING finger, is a cysteine-rich domain of 40 to 60 residues that coordinates two zinc ions, and has the consensus sequence: C-X2-C-X(9-39)-C-X(1-3)-H-X(2-3)-C-X2-C-X(4-48)-C-X2-C, where X is any amino acid. Many proteins containing a C3HC4-type RING finger play a key role in the ubiquitination pathway. [GOC:amm, InterPro:IPR001841, InterPro:IPR018957] |
| voltage-gated potassium channel activity involved in cardiac muscle cell action potential repolarization | molecular function | Enables the transmembrane transfer of a potassium ion by a voltage-gated channel through the plasma membrane of a cardiac muscle cell contributing to the repolarization phase of an action potential. A voltage-gated channel is a channel whose open state is dependent on the voltage across the membrane in which it is embedded. [GOC:BHF, GOC:mtg_cardiac_conduct_nov11] |
| scaffold protein binding | molecular function | Binding to a scaffold protein. Scaffold proteins are crucial regulators of many key signaling pathways. Although not strictly defined in function, they are known to interact and/or bind with multiple members of a signaling pathway, tethering them into complexes. [GOC:BHF, GOC:sjp, PMID:10433269, Wikipedia:Scaffold_protein] |
| voltage-gated potassium channel activity involved in ventricular cardiac muscle cell action potential repolarization | molecular function | Enables the transmembrane transfer of a potassium ion by a voltage-gated channel through the plasma membrane of a ventricular cardiomyocyte contributing to the repolarization phase of an action potential. A voltage-gated channel is a channel whose open state is dependent on the voltage across the membrane in which it is embedded. [GOC:BHF, GOC:mtg_cardiac_conduct_nov11, GOC:rl, GOC:TermGenie, PMID:8528244] |
Located In
This protein is located in 3 target(s):
| Target | Category | Definition |
|---|
| plasma membrane | cellular component | The membrane surrounding a cell that separates the cell from its external environment. It consists of a phospholipid bilayer and associated proteins. [ISBN:0716731363] |
| cell surface | cellular component | The external part of the cell wall and/or plasma membrane. [GOC:jl, GOC:mtg_sensu, GOC:sm] |
| perinuclear region of cytoplasm | cellular component | Cytoplasm situated near, or occurring around, the nucleus. [GOC:jid] |
Active In
This protein is active in 1 target(s):
| Target | Category | Definition |
|---|
| plasma membrane | cellular component | The membrane surrounding a cell that separates the cell from its external environment. It consists of a phospholipid bilayer and associated proteins. [ISBN:0716731363] |
Part Of
This protein is part of 2 target(s):
| Target | Category | Definition |
|---|
| voltage-gated potassium channel complex | cellular component | A protein complex that forms a transmembrane channel through which potassium ions may cross a cell membrane in response to changes in membrane potential. [GOC:mah] |
| inward rectifier potassium channel complex | cellular component | A protein complex which is capable of inward rectifier potassium channel activity. [GO_REF:0000088, GOC:bhm, GOC:TermGenie, PMID:16834334] |
Involved In
This protein is involved in 22 target(s):
| Target | Category | Definition |
|---|
| regulation of heart rate by hormone | biological process | The process in which the hormones modulates the rate of heart muscle contraction. A hormone is one of a group of substances formed in very small amounts in one specialized organ or group of cells and carried (sometimes in the bloodstream) to another organ or group of cells, in the same organism, upon which they have a specific regulatory action. [GOC:mtg_cardio, GOC:rl] |
| regulation of membrane potential | biological process | Any process that modulates the establishment or extent of a membrane potential, the electric potential existing across any membrane arising from charges in the membrane itself and from the charges present in the media on either side of the membrane. [GOC:jl, GOC:mtg_cardio, GOC:tb, ISBN:0198506732] |
| positive regulation of DNA-templated transcription | biological process | Any process that activates or increases the frequency, rate or extent of cellular DNA-templated transcription. [GOC:go_curators, GOC:txnOH] |
| potassium ion homeostasis | biological process | Any process involved in the maintenance of an internal steady state of potassium ions within an organism or cell. [GOC:jid, GOC:mah] |
| cardiac muscle contraction | biological process | Muscle contraction of cardiac muscle tissue. [GOC:dph] |
| regulation of membrane repolarization | biological process | Any process that modulates the establishment or extent of a membrane potential in the polarizing direction towards the resting potential, usually from positive to negative. [GOC:BHF, GOC:dph, GOC:mtg_cardiac_conduct_nov11, GOC:tb] |
| regulation of ventricular cardiac muscle cell membrane repolarization | biological process | Any process that modulates the establishment or extent of a membrane potential in the polarizing direction towards the resting potential in a ventricular cardiomyocyte. [GOC:BHF, GOC:dph, GOC:mtg_cardiac_conduct_nov11, GOC:tb] |
| cellular response to xenobiotic stimulus | biological process | Any process that results in a change in state or activity of a cell (in terms of movement, secretion, enzyme production, gene expression, etc.) as a result of a stimulus from a xenobiotic, a compound foreign to the organism exposed to it. It may be synthesized by another organism (like ampicilin) or it can be a synthetic chemical. [GOC:krc, GOC:mah] |
| potassium ion transmembrane transport | biological process | A process in which a potassium ion is transported from one side of a membrane to the other. [GOC:mah] |
| ventricular cardiac muscle cell action potential | biological process | An action potential that occurs in a ventricular cardiac muscle cell. [GOC:BHF, GOC:mtg_cardiac_conduct_nov11] |
| membrane repolarization | biological process | The process in which ions are transported across a membrane such that the membrane potential changes in the repolarizing direction, toward the steady state potential. For example, the repolarization during an action potential is from a positive membrane potential towards a negative resting potential. [GOC:BHF, GOC:mtg_cardiac_conduct_nov11] |
| membrane depolarization during action potential | biological process | The process in which membrane potential changes in the depolarizing direction from the negative resting potential towards the positive membrane potential that will be the peak of the action potential. [GOC:BHF, GOC:mtg_cardiac_conduct_nov11] |
| membrane repolarization during action potential | biological process | The process in which ions are transported across a membrane such that the membrane potential changes in the direction from the positive membrane potential at the peak of the action potential towards the negative resting potential. [GOC:BHF, GOC:mtg_cardiac_conduct_nov11] |
| membrane repolarization during cardiac muscle cell action potential | biological process | The process in which ions are transported across a membrane such that the cardiac muscle cell plasma membrane potential changes in the direction from the positive membrane potential at the peak of the action potential towards the negative resting potential. [GOC:BHF, GOC:mtg_cardiac_conduct_nov11] |
| regulation of heart rate by cardiac conduction | biological process | A cardiac conduction process that modulates the frequency or rate of heart contraction. [GOC:BHF, GOC:mtg_cardiac_conduct_nov11] |
| potassium ion export across plasma membrane | biological process | The directed movement of potassium ions from inside of a cell, across the plasma membrane and into the extracellular region. [GOC:vw, PMID:11932440] |
| membrane repolarization during ventricular cardiac muscle cell action potential | biological process | The process in which ions are transported across a membrane such that the ventricular cardiomyocyte membrane potential changes in the direction from the positive membrane potential at the peak of the action potential towards the negative resting potential. [GOC:BHF, GOC:dph, GOC:mtg_cardiac_conduct_nov11, GOC:tb] |
| regulation of potassium ion transmembrane transport | biological process | Any process that modulates the frequency, rate or extent of potassium ion transmembrane transport. [GOC:BHF, GOC:TermGenie] |
| negative regulation of potassium ion transmembrane transport | biological process | Any process that stops, prevents or reduces the frequency, rate or extent of potassium ion transmembrane transport. [GOC:BHF, GOC:TermGenie] |
| positive regulation of potassium ion transmembrane transport | biological process | Any process that activates or increases the frequency, rate or extent of potassium ion transmembrane transport. [GOC:BHF, GOC:TermGenie] |
| negative regulation of potassium ion export across plasma membrane | biological process | Any process that stops, prevents or reduces the frequency, rate or extent of potassium ion export across the plasma membrane. [GO_REF:0000058, GOC:BHF, GOC:mtg_cardiac_conduct_nov11, GOC:rl, GOC:TermGenie, PMID:19646991] |
| potassium ion import across plasma membrane | biological process | The directed movement of potassium ions from outside of a cell, across the plasma membrane and into the cytosol. [PMID:9139127] |