Page last updated: 2024-08-07 15:52:57
Cytochrome P450 2D6
A cytochrome P450 2D6 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P10635]
Synonyms
EC 1.14.14.-;
CYPIID6;
Cholesterol 25-hydroxylase;
Cytochrome P450-DB1;
Debrisoquine 4-hydroxylase
Research
Bioassay Publications (307)
| Timeframe | Studies on this Protein(%) | All Drugs % |
|---|
| pre-1990 | 0 (0.00) | 18.7374 |
| 1990's | 2 (0.65) | 18.2507 |
| 2000's | 74 (24.10) | 29.6817 |
| 2010's | 184 (59.93) | 24.3611 |
| 2020's | 47 (15.31) | 2.80 |
Compounds (411)
Drugs with Inhibition Measurements
| Drug | Taxonomy | Measurement | Average (mM) | Bioassay(s) | Publication(s) |
|---|
| melatonin | Homo sapiens (human) | Ki | 0.0003 | 1 | 1 |
| 1-aminobenzotriazole | Homo sapiens (human) | IC50 | 10.5000 | 1 | 1 |
| n-methyl-3,4-methylenedioxyamphetamine | Homo sapiens (human) | Ki | 12.9000 | 1 | 1 |
| pleconaril | Homo sapiens (human) | IC50 | 25.6888 | 2 | 2 |
| tacrine | Homo sapiens (human) | IC50 | 0.3000 | 1 | 0 |
| acetaminophen | Homo sapiens (human) | IC50 | 10.0000 | 1 | 1 |
| acetazolamide | Homo sapiens (human) | Ki | 0.0541 | 5 | 9 |
| alosetron | Homo sapiens (human) | IC50 | 10.0000 | 1 | 1 |
| ambroxol | Homo sapiens (human) | IC50 | 0.5574 | 1 | 0 |
| amoxapine | Homo sapiens (human) | IC50 | 10.0000 | 1 | 0 |
| amsacrine | Homo sapiens (human) | IC50 | 10.3500 | 1 | 2 |
| amsacrine | Homo sapiens (human) | Ki | 7.5000 | 1 | 1 |
| azelastine | Homo sapiens (human) | IC50 | 1.0000 | 1 | 1 |
| azelastine | Homo sapiens (human) | Ki | 0.0501 | 1 | 1 |
| 5-methoxypsoralen | Homo sapiens (human) | IC50 | 10.0000 | 1 | 1 |
| betaxolol | Homo sapiens (human) | IC50 | 66.0000 | 1 | 1 |
| bromhexine | Homo sapiens (human) | IC50 | 0.1958 | 1 | 0 |
| butenafine | Homo sapiens (human) | IC50 | 0.3000 | 1 | 0 |
| carmofur | Homo sapiens (human) | IC50 | 5.0000 | 1 | 0 |
| celecoxib | Homo sapiens (human) | IC50 | 1.0000 | 1 | 0 |
| chlorambucil | Homo sapiens (human) | IC50 | 65.1000 | 1 | 1 |
| chlorpromazine | Homo sapiens (human) | Ki | 7.0000 | 1 | 1 |
| cimetidine | Homo sapiens (human) | Ki | 77.0000 | 1 | 1 |
| ciprofloxacin | Homo sapiens (human) | IC50 | 50.0000 | 1 | 1 |
| cisapride | Homo sapiens (human) | IC50 | 0.0700 | 1 | 0 |
| clomipramine | Homo sapiens (human) | IC50 | 3.9465 | 1 | 0 |
| debrisoquin | Homo sapiens (human) | IC50 | 65.4000 | 2 | 2 |
| diphenidol | Homo sapiens (human) | IC50 | 0.3263 | 1 | 0 |
| doxapram | Homo sapiens (human) | IC50 | 0.1000 | 1 | 0 |
| econazole | Homo sapiens (human) | IC50 | 0.4000 | 1 | 0 |
| eperisone | Homo sapiens (human) | IC50 | 4.9034 | 1 | 0 |
| fluoxetine | Homo sapiens (human) | IC50 | 0.7000 | 1 | 0 |
| miltefosine | Homo sapiens (human) | IC50 | 100.0000 | 1 | 1 |
| hycanthone | Homo sapiens (human) | IC50 | 1.5000 | 1 | 1 |
| phenelzine | Homo sapiens (human) | IC50 | 1.0000 | 1 | 0 |
| idebenone | Homo sapiens (human) | IC50 | 3.0000 | 1 | 0 |
| imipramine | Homo sapiens (human) | IC50 | 0.0051 | 1 | 1 |
| iproniazid | Homo sapiens (human) | IC50 | 7.9700 | 1 | 1 |
| khellin | Homo sapiens (human) | IC50 | 10.0000 | 1 | 1 |
| labetalol | Homo sapiens (human) | IC50 | 0.8000 | 1 | 0 |
| lansoprazole | Homo sapiens (human) | IC50 | 5.3148 | 1 | 0 |
| loperamide | Homo sapiens (human) | IC50 | 2.0000 | 1 | 0 |
| methapyrilene | Homo sapiens (human) | IC50 | 2.7564 | 1 | 0 |
| metoclopramide | Homo sapiens (human) | IC50 | 0.8000 | 1 | 0 |
| metoclopramide | Homo sapiens (human) | Ki | 0.9600 | 1 | 1 |
| metoprolol | Homo sapiens (human) | IC50 | 24.0000 | 1 | 1 |
| metyrapone | Homo sapiens (human) | IC50 | 4.6000 | 1 | 1 |
| miconazole | Homo sapiens (human) | IC50 | 1.3200 | 2 | 1 |
| mitoxantrone | Homo sapiens (human) | IC50 | 76.3000 | 1 | 1 |
| nomifensine | Homo sapiens (human) | IC50 | 20.0000 | 1 | 1 |
| nortriptyline | Homo sapiens (human) | IC50 | 1.9500 | 4 | 3 |
| orphenadrine | Homo sapiens (human) | IC50 | 0.4000 | 1 | 0 |
| oxymetazoline | Homo sapiens (human) | IC50 | 0.2000 | 1 | 0 |
| pentamidine | Homo sapiens (human) | IC50 | 19.8667 | 3 | 3 |
| perhexiline | Homo sapiens (human) | IC50 | 0.9408 | 1 | 0 |
| prochlorperazine | Homo sapiens (human) | IC50 | 0.3000 | 1 | 0 |
| promazine | Homo sapiens (human) | IC50 | 0.3000 | 1 | 0 |
| propafenone | Homo sapiens (human) | IC50 | 4.6034 | 1 | 0 |
| propranolol | Homo sapiens (human) | IC50 | 2.9706 | 3 | 2 |
| pyrilamine | Homo sapiens (human) | IC50 | 0.3000 | 1 | 0 |
| riluzole | Homo sapiens (human) | IC50 | 25.0000 | 1 | 1 |
| risperidone | Homo sapiens (human) | IC50 | 5.2734 | 1 | 0 |
| sb 206553 | Homo sapiens (human) | IC50 | 30.0000 | 1 | 1 |
| vorinostat | Homo sapiens (human) | IC50 | 0.0110 | 1 | 1 |
| sulconazole | Homo sapiens (human) | IC50 | 0.8000 | 1 | 0 |
| thioridazine | Homo sapiens (human) | IC50 | 1.7726 | 1 | 0 |
| ticlopidine | Homo sapiens (human) | IC50 | 6.2928 | 1 | 0 |
| triamterene | Homo sapiens (human) | IC50 | 10.0000 | 1 | 0 |
| trifluperidol | Homo sapiens (human) | Ki | 0.1700 | 1 | 1 |
| trihexyphenidyl | Homo sapiens (human) | IC50 | 2.4498 | 1 | 0 |
| phentolamine | Homo sapiens (human) | IC50 | 10.0000 | 1 | 0 |
| physostigmine | Homo sapiens (human) | IC50 | 0.2000 | 1 | 0 |
| cyclizine | Homo sapiens (human) | IC50 | 6.2175 | 1 | 0 |
| sparteine, (7r-(7alpha,7aalpha,14alpha,14abeta))-isomer | Homo sapiens (human) | IC50 | 60.0000 | 1 | 1 |
| phenylhydrazine | Homo sapiens (human) | IC50 | 3.0000 | 1 | 0 |
| diphenylguanidine | Homo sapiens (human) | IC50 | 3.4443 | 1 | 0 |
| methylergonovine | Homo sapiens (human) | IC50 | 0.2000 | 1 | 0 |
| phenformin | Homo sapiens (human) | IC50 | 36.2000 | 2 | 2 |
| yohimbine | Homo sapiens (human) | IC50 | 1.0200 | 2 | 1 |
| yohimbine | Homo sapiens (human) | Ki | 0.3500 | 2 | 2 |
| naphthazarin | Homo sapiens (human) | IC50 | 10.0000 | 1 | 1 |
| plumbagin | Homo sapiens (human) | IC50 | 10.0000 | 1 | 1 |
| dimenhydrinate | Homo sapiens (human) | IC50 | 1.5090 | 1 | 0 |
| gentian violet | Homo sapiens (human) | IC50 | 0.8244 | 1 | 0 |
| formestane | Homo sapiens (human) | IC50 | 58.6000 | 1 | 1 |
| 2,2-dimethylbutyric acid | Homo sapiens (human) | IC50 | 10,000.0000 | 2 | 2 |
| alpha-naphthoflavone | Homo sapiens (human) | IC50 | 13.3333 | 6 | 6 |
| Berberine chloride (TN) | Homo sapiens (human) | IC50 | 4.5042 | 1 | 0 |
| vinblastine | Homo sapiens (human) | IC50 | 0.6000 | 1 | 1 |
| 2-amino-6-methoxybenzothiazole | Homo sapiens (human) | IC50 | 10.0000 | 1 | 1 |
| tranylcypromine | Homo sapiens (human) | IC50 | 6.2000 | 1 | 1 |
| dexpropranolol | Homo sapiens (human) | IC50 | 1.1600 | 2 | 2 |
| stanozolol | Homo sapiens (human) | IC50 | 9.2740 | 1 | 0 |
| clemastine | Homo sapiens (human) | IC50 | 3.0000 | 1 | 0 |
| metergoline | Homo sapiens (human) | IC50 | 0.2000 | 1 | 0 |
| lisuride | Homo sapiens (human) | IC50 | 0.0160 | 1 | 0 |
| benzonidazole | Homo sapiens (human) | IC50 | 77.8000 | 1 | 1 |
| timolol | Homo sapiens (human) | IC50 | 11.0000 | 1 | 1 |
| acodazole | Homo sapiens (human) | IC50 | 18.1000 | 1 | 1 |
| paroxetine | Homo sapiens (human) | IC50 | 0.5003 | 2 | 1 |
| paroxetine | Homo sapiens (human) | Ki | 4.8500 | 1 | 2 |
| bopindolol | Homo sapiens (human) | IC50 | 5.4764 | 1 | 0 |
| staurosporine | Homo sapiens (human) | IC50 | 0.0002 | 1 | 1 |
| pergolide | Homo sapiens (human) | IC50 | 0.2000 | 1 | 0 |
| amonafide | Homo sapiens (human) | IC50 | 39.6000 | 1 | 1 |
| bucindolol | Homo sapiens (human) | IC50 | 0.0500 | 1 | 1 |
| bambuterol | Homo sapiens (human) | IC50 | 2.0000 | 1 | 0 |
| atomoxetine | Homo sapiens (human) | IC50 | 2.0000 | 2 | 2 |
| lm 985 | Homo sapiens (human) | IC50 | 8.7000 | 1 | 1 |
| liarozole | Homo sapiens (human) | IC50 | 4.7600 | 1 | 1 |
| mibefradil | Homo sapiens (human) | IC50 | 0.0630 | 1 | 1 |
| duloxetine | Homo sapiens (human) | IC50 | 1.5438 | 4 | 4 |
| mk 0591 | Homo sapiens (human) | IC50 | 0.0110 | 1 | 1 |
| 2,4(1h,3h)-quinazolinedione | Homo sapiens (human) | Ki | 500.0000 | 1 | 1 |
| 2-adamantanol | Homo sapiens (human) | IC50 | 30.0000 | 1 | 1 |
| bupivacaine hydrochloride | Homo sapiens (human) | IC50 | 0.4000 | 1 | 0 |
| proadifen hydrochloride | Homo sapiens (human) | IC50 | 19.0000 | 1 | 1 |
| secoisolariciresinol | Homo sapiens (human) | IC50 | 100.0000 | 1 | 1 |
| prodipin | Homo sapiens (human) | Ki | 0.0048 | 1 | 1 |
| milnacipran | Homo sapiens (human) | IC50 | 0.0640 | 1 | 1 |
| esreboxetine | Homo sapiens (human) | IC50 | 3.1623 | 1 | 1 |
| mizolastine | Homo sapiens (human) | Ki | 20.0000 | 1 | 1 |
| isopimpinellin | Homo sapiens (human) | IC50 | 10.0000 | 1 | 1 |
| sertraline | Homo sapiens (human) | IC50 | 1.4000 | 1 | 1 |
| pirlindole | Homo sapiens (human) | IC50 | 36.0000 | 1 | 1 |
| bay h 2049 | Homo sapiens (human) | IC50 | 48.0000 | 1 | 1 |
| eperezolid | Homo sapiens (human) | IC50 | 20.0000 | 1 | 1 |
| 1-benzylimidazole | Homo sapiens (human) | IC50 | 2.0000 | 1 | 0 |
| cinchonine | Homo sapiens (human) | IC50 | 1.8000 | 1 | 1 |
| cinchonine | Homo sapiens (human) | Ki | 21.0000 | 1 | 1 |
| levobupivacaine | Homo sapiens (human) | IC50 | 0.1964 | 1 | 0 |
| sr 2555 | Homo sapiens (human) | IC50 | 1,017.0000 | 1 | 1 |
| 6-paradol | Homo sapiens (human) | IC50 | 3.8000 | 1 | 1 |
| allocryptopine | Homo sapiens (human) | Ki | 0.1220 | 1 | 1 |
| phellopterin | Homo sapiens (human) | IC50 | 10.0000 | 1 | 1 |
| dihydrolenperone | Homo sapiens (human) | IC50 | 1.6000 | 1 | 1 |
| hepsulfam | Homo sapiens (human) | IC50 | 699.0000 | 1 | 1 |
| sch 28080 | Homo sapiens (human) | IC50 | 82.0000 | 1 | 1 |
| desethylamodiaquine | Homo sapiens (human) | IC50 | 6.4000 | 2 | 2 |
| ramatroban | Homo sapiens (human) | IC50 | 30.0000 | 1 | 1 |
| glabridin | Homo sapiens (human) | IC50 | 73.4000 | 1 | 1 |
| salicylideneaniline | Homo sapiens (human) | IC50 | 1,000.0000 | 1 | 1 |
| tariquidar | Homo sapiens (human) | IC50 | 100.0000 | 1 | 1 |
| 5-hydroxy-3',4',6,7-tetramethoxyflavone | Homo sapiens (human) | IC50 | 10.0000 | 1 | 1 |
| pumosetrag | Homo sapiens (human) | IC50 | 10.0000 | 1 | 1 |
| cinacalcet hydrochloride | Homo sapiens (human) | IC50 | 0.1000 | 1 | 1 |
| isolariciresinol | Homo sapiens (human) | IC50 | 97.7000 | 1 | 1 |
| anidulafungin | Homo sapiens (human) | IC50 | 17.5000 | 1 | 1 |
| 8-gingerol | Homo sapiens (human) | IC50 | 42.7000 | 1 | 1 |
| sb 203580 | Homo sapiens (human) | IC50 | 2.0000 | 1 | 0 |
| pseudoprotopine | Homo sapiens (human) | Ki | 0.0780 | 1 | 1 |
| ezlopitant | Homo sapiens (human) | Ki | 0.4200 | 1 | 1 |
| n-methyl-n-(1-phenyl-2-(1-pyrrolidinyl)ethyl)phenylacetamide | Homo sapiens (human) | IC50 | 0.0460 | 1 | 1 |
| etravirine | Homo sapiens (human) | IC50 | 0.0320 | 1 | 1 |
| maduramicin | Homo sapiens (human) | IC50 | 1.0000 | 1 | 0 |
| sr 142806 | Homo sapiens (human) | IC50 | 55.0000 | 1 | 1 |
| cp 101,606 | Homo sapiens (human) | IC50 | 7.1250 | 2 | 2 |
| sitosterol, (3beta)-isomer | Homo sapiens (human) | IC50 | 100.0000 | 1 | 1 |
| n-hydroxy-2,2-diphenylacetamide | Homo sapiens (human) | IC50 | 0.6500 | 1 | 1 |
| lariciresinol | Homo sapiens (human) | IC50 | 100.0000 | 1 | 1 |
| ritonavir | Homo sapiens (human) | IC50 | 26.1500 | 2 | 1 |
| naringenin | Homo sapiens (human) | IC50 | 3.3000 | 1 | 1 |
| quinidine | Homo sapiens (human) | IC50 | 2.1907 | 45 | 45 |
| quinidine | Homo sapiens (human) | Ki | 0.0357 | 4 | 4 |
| linezolid | Homo sapiens (human) | IC50 | 20.0000 | 2 | 2 |
| raubasine | Homo sapiens (human) | Ki | 0.0045 | 2 | 2 |
| sb 221284 | Homo sapiens (human) | IC50 | 0.1100 | 2 | 2 |
| sb 228357 | Homo sapiens (human) | IC50 | 21.0000 | 1 | 1 |
| sb 243213 | Homo sapiens (human) | IC50 | 100.0000 | 1 | 1 |
| trichostatin a | Homo sapiens (human) | IC50 | 0.0050 | 1 | 1 |
| ketoconazole | Homo sapiens (human) | IC50 | 2.7740 | 3 | 3 |
| conidendrin | Homo sapiens (human) | IC50 | 17.7000 | 1 | 1 |
| pd 146626 | Homo sapiens (human) | IC50 | 0.0825 | 1 | 1 |
| tenofovir | Homo sapiens (human) | IC50 | 50.0000 | 1 | 1 |
| Euchrestaflavanone A | Homo sapiens (human) | IC50 | 62.4000 | 1 | 1 |
| abt 492 | Homo sapiens (human) | IC50 | 50.0000 | 1 | 1 |
| bay 57-1293 | Homo sapiens (human) | Ki | 0.2119 | 3 | 7 |
| bms-488043 | Homo sapiens (human) | IC50 | 40.0000 | 1 | 1 |
| isoliquiritigenin | Homo sapiens (human) | IC50 | 0.2690 | 1 | 1 |
| dibenzylidene acetone | Homo sapiens (human) | IC50 | 34,308.6500 | 1 | 2 |
| cannabidiol | Homo sapiens (human) | Ki | 2.4200 | 1 | 1 |
| quinidine sulfate | Homo sapiens (human) | IC50 | 0.0200 | 2 | 2 |
| vesamicol | Homo sapiens (human) | Ki | 0.0044 | 1 | 1 |
| pongamol | Homo sapiens (human) | IC50 | 10.0000 | 1 | 1 |
| lobeline | Homo sapiens (human) | Ki | 0.1200 | 1 | 1 |
| cid755673 | Homo sapiens (human) | IC50 | 0.1820 | 1 | 1 |
| enclomiphene | Homo sapiens (human) | IC50 | 10.0000 | 1 | 0 |
| terbinafine | Homo sapiens (human) | IC50 | 0.2000 | 1 | 0 |
| n-hydroxy-n'-(4-butyl-2-methylphenyl)formamidine | Homo sapiens (human) | IC50 | 56.1667 | 3 | 3 |
| lch-7749944 | Homo sapiens (human) | IC50 | 14.9000 | 1 | 1 |
| hirsutine, (16e,20beta)-isomer | Homo sapiens (human) | Ki | 2.8000 | 1 | 1 |
| maraviroc | Homo sapiens (human) | IC50 | 25.0000 | 1 | 1 |
| telaprevir | Homo sapiens (human) | Ki | 6.1000 | 1 | 1 |
| 6-methyl-2-(phenylethynyl)pyridine | Homo sapiens (human) | IC50 | 100.0000 | 1 | 1 |
| 6-methyl-2-(phenylethynyl)pyridine | Homo sapiens (human) | Ki | 0.0096 | 1 | 1 |
| quinine | Homo sapiens (human) | IC50 | 0.6285 | 4 | 4 |
| quinine | Homo sapiens (human) | Ki | 15.0000 | 1 | 1 |
| mitragynine | Homo sapiens (human) | Ki | 1.1000 | 1 | 1 |
| vx-745 | Homo sapiens (human) | IC50 | 40.0000 | 1 | 1 |
| dasatinib | Homo sapiens (human) | IC50 | 50.0000 | 1 | 0 |
| ici 199441 | Homo sapiens (human) | IC50 | 0.0260 | 1 | 1 |
| sb 242084 | Homo sapiens (human) | IC50 | 100.0000 | 2 | 2 |
| bw 723c86 | Homo sapiens (human) | IC50 | 2.7743 | 1 | 0 |
| quercetin | Homo sapiens (human) | IC50 | 20.0000 | 2 | 2 |
| calcitriol | Homo sapiens (human) | Ki | 0.0001 | 1 | 1 |
| 3-methylkaempferol | Homo sapiens (human) | IC50 | 4.6300 | 1 | 1 |
| amphotericin b | Homo sapiens (human) | IC50 | 100.0000 | 1 | 1 |
| isobavachalcone | Homo sapiens (human) | IC50 | 27.3000 | 1 | 1 |
| bruceantin | Homo sapiens (human) | IC50 | 514.0000 | 1 | 1 |
| chrysin | Homo sapiens (human) | IC50 | 50.0000 | 1 | 1 |
| hyperoside | Homo sapiens (human) | IC50 | 1.2000 | 1 | 1 |
| shogaol | Homo sapiens (human) | IC50 | 100.0000 | 1 | 1 |
| ellagic acid | Homo sapiens (human) | IC50 | 4.7700 | 1 | 1 |
| ellagic acid | Homo sapiens (human) | Ki | 1.9500 | 1 | 1 |
| codeine | Homo sapiens (human) | IC50 | 171.0000 | 2 | 2 |
| cyclosporine | Homo sapiens (human) | IC50 | 100.0000 | 1 | 1 |
| naloxone | Homo sapiens (human) | IC50 | 2.0000 | 1 | 0 |
| blebbistatin | Homo sapiens (human) | IC50 | 0.4000 | 1 | 1 |
| geldanamycin | Homo sapiens (human) | IC50 | 0.0140 | 1 | 1 |
| istradefylline | Homo sapiens (human) | IC50 | 40.0000 | 1 | 1 |
| sb 223412 | Homo sapiens (human) | IC50 | 18.0000 | 1 | 1 |
| kaempferol 3-o-rhamnoside | Homo sapiens (human) | IC50 | 100.0000 | 1 | 1 |
| eurycarpin b | Homo sapiens (human) | IC50 | 66.3000 | 1 | 1 |
| fluvoxamine | Homo sapiens (human) | Ki | 12.5000 | 2 | 2 |
| palbociclib | Homo sapiens (human) | Ki | 5.0000 | 1 | 1 |
| ermanin | Homo sapiens (human) | IC50 | 45.5000 | 1 | 1 |
| oxiconazole | Homo sapiens (human) | IC50 | 1.0000 | 1 | 0 |
| naltrexone | Homo sapiens (human) | IC50 | 1.0000 | 1 | 0 |
| dextromethorphan | Homo sapiens (human) | IC50 | 2.1768 | 5 | 5 |
| indinavir sulfate | Homo sapiens (human) | IC50 | 30.0000 | 2 | 2 |
| bedaquiline | Homo sapiens (human) | IC50 | 10.0000 | 1 | 1 |
| zerumbone | Homo sapiens (human) | IC50 | 100.0000 | 1 | 1 |
| l 754394 | Homo sapiens (human) | Ki | 32.0000 | 1 | 1 |
| bms 806 | Homo sapiens (human) | IC50 | 9.7000 | 1 | 1 |
| 4-hydroxylonchocarpin | Homo sapiens (human) | IC50 | 74.1000 | 1 | 1 |
| mdl 73811 | Homo sapiens (human) | IC50 | 5.0000 | 1 | 1 |
| rilpivirine | Homo sapiens (human) | IC50 | 2.3635 | 6 | 6 |
| hylin | Homo sapiens (human) | IC50 | 300.1955 | 1 | 2 |
| scy-635 | Homo sapiens (human) | IC50 | 100.0000 | 1 | 1 |
| opc-67683 | Homo sapiens (human) | IC50 | 100.0000 | 1 | 1 |
| a 419259 | Homo sapiens (human) | IC50 | 0.0004 | 1 | 1 |
| ispinesib | Homo sapiens (human) | IC50 | 25.0000 | 1 | 1 |
| (3S,6S,9S,12R)-3-[(2S)-Butan-2-yl]-6-[(1-methoxyindol-3-yl)methyl]-9-(6-oxooctyl)-1,4,7,10-tetrazabicyclo[10.4.0]hexadecane-2,5,8,11-tetrone | Homo sapiens (human) | IC50 | 0.0340 | 1 | 1 |
| nps2143 | Homo sapiens (human) | IC50 | 0.0000 | 1 | 1 |
| sun | Homo sapiens (human) | IC50 | 10.0000 | 1 | 1 |
| 3-((2-methyl-1,3-thiazol-4-yl)ethynyl)piperidine | Homo sapiens (human) | IC50 | 60.7000 | 1 | 1 |
| dov 216303 | Homo sapiens (human) | IC50 | 3.8900 | 2 | 2 |
| pnu-282987 | Homo sapiens (human) | IC50 | 3.0000 | 1 | 1 |
| orteronel | Homo sapiens (human) | IC50 | 30.0000 | 1 | 1 |
| CB-13 | Homo sapiens (human) | IC50 | 0.0220 | 1 | 1 |
| ts-011 | Homo sapiens (human) | IC50 | 0.1000 | 1 | 1 |
| rwj 68354 | Homo sapiens (human) | IC50 | 0.2000 | 1 | 0 |
| (2s,3s)-2-phenyl-3-((5-trifluoromethoxy-2-methoxy)benzylamino)piperidine | Homo sapiens (human) | Ki | 0.0200 | 1 | 1 |
| gw 803430 | Homo sapiens (human) | IC50 | 10,000.0000 | 1 | 1 |
| pd 0325901 | Homo sapiens (human) | IC50 | 0.0150 | 1 | 1 |
| licochalcone c | Homo sapiens (human) | IC50 | 57.0000 | 1 | 1 |
| biln 2061 | Homo sapiens (human) | Ki | 0.1200 | 1 | 1 |
| sb-505124 | Homo sapiens (human) | IC50 | 0.0438 | 1 | 1 |
| mocetinostat | Homo sapiens (human) | IC50 | 0.1020 | 1 | 1 |
| pnu 96415e | Homo sapiens (human) | Ki | 0.0380 | 1 | 1 |
| dirlotapide | Homo sapiens (human) | IC50 | 30.0000 | 1 | 1 |
| tofacitinib | Homo sapiens (human) | IC50 | 0.0037 | 1 | 1 |
| darapladib | Homo sapiens (human) | IC50 | 26.0000 | 1 | 1 |
| linaprazan | Homo sapiens (human) | IC50 | 52.0000 | 2 | 2 |
| pimavanserin | Homo sapiens (human) | IC50 | 100.0000 | 1 | 1 |
| hetacillin | Homo sapiens (human) | IC50 | 68.1000 | 1 | 1 |
| ly-2157299 | Homo sapiens (human) | IC50 | 0.1000 | 1 | 1 |
| linagliptin | Homo sapiens (human) | IC50 | 100.0000 | 1 | 1 |
| pazopanib | Homo sapiens (human) | IC50 | 0.0300 | 1 | 1 |
| 2-(2-furanyl)-7-(2-(4-(4-(2-methoxyethoxy)phenyl)-1-piperazinyl)ethyl)-7h-pyrazolo(4,3-e)(1,2,4)triazolo(1,5-c)pyrimidine-5-amine | Homo sapiens (human) | IC50 | 40.0000 | 1 | 1 |
| way 181187 | Homo sapiens (human) | IC50 | 175.2857 | 2 | 7 |
| 6-(3-hydroxyphenyl)-2-naphthol | Homo sapiens (human) | IC50 | 32.5600 | 1 | 1 |
| gw 842166x | Homo sapiens (human) | IC50 | 100.0000 | 1 | 1 |
| gsk 369796 | Homo sapiens (human) | IC50 | 3.0000 | 1 | 1 |
| ps 540446 | Homo sapiens (human) | IC50 | 40.0000 | 1 | 1 |
| sb-435495 | Homo sapiens (human) | IC50 | 37.0000 | 2 | 2 |
| bms 599626 | Homo sapiens (human) | IC50 | 40.0000 | 1 | 1 |
| sl0101 | Homo sapiens (human) | IC50 | 50.5000 | 1 | 1 |
| Kanzonol B | Homo sapiens (human) | IC50 | 44.3000 | 1 | 1 |
| brivanib | Homo sapiens (human) | IC50 | 40.0000 | 1 | 1 |
| amd 070 | Homo sapiens (human) | IC50 | 1.6267 | 3 | 3 |
| azd1981 | Homo sapiens (human) | IC50 | 10.0000 | 1 | 1 |
| dg 041 | Homo sapiens (human) | IC50 | 10.0000 | 1 | 1 |
| bms-626529 | Homo sapiens (human) | IC50 | 32.5000 | 2 | 2 |
| r 1487 | Homo sapiens (human) | IC50 | 40.0000 | 1 | 1 |
| alogliptin | Homo sapiens (human) | IC50 | 55.0000 | 2 | 2 |
| oc000459 | Homo sapiens (human) | IC50 | 30.0000 | 1 | 1 |
| azd 8931 | Homo sapiens (human) | IC50 | 10.0000 | 1 | 1 |
| gosogliptin | Homo sapiens (human) | IC50 | 30.0000 | 1 | 1 |
| quisinostat | Homo sapiens (human) | IC50 | 0.0001 | 1 | 1 |
| ce 224,535 | Homo sapiens (human) | IC50 | 30.0000 | 1 | 1 |
| 6-(5-((cyclopropylamino)carbonyl)-3-fluoro-2-methylphenyl)-n-(2,2-dimethylprpyl)-3-pyridinecarboxamide | Homo sapiens (human) | IC50 | 79.4328 | 1 | 1 |
| apremilast | Homo sapiens (human) | IC50 | 10.0000 | 1 | 1 |
| mrk 560 | Homo sapiens (human) | IC50 | 30.0000 | 2 | 2 |
| gw9508 | Homo sapiens (human) | IC50 | 33.0000 | 1 | 1 |
| glabrol | Homo sapiens (human) | IC50 | 37.5000 | 1 | 1 |
| cannabidivarin | Homo sapiens (human) | IC50 | 10.2000 | 1 | 1 |
| cannabidivarin | Homo sapiens (human) | Ki | 5.8000 | 1 | 1 |
| tozadenant | Homo sapiens (human) | Ki | 5.0000 | 1 | 1 |
| milnacipran | Homo sapiens (human) | IC50 | 31.6228 | 1 | 1 |
| idelalisib | Homo sapiens (human) | IC50 | 0.5710 | 1 | 1 |
| 5-(5,6-dimethoxy-1-benzimidazolyl)-3-[(2-methylsulfonylphenyl)methoxy]-2-thiophenecarbonitrile | Homo sapiens (human) | IC50 | 50.1187 | 1 | 1 |
| epelsiban | Homo sapiens (human) | IC50 | 100.0000 | 1 | 1 |
| cgp 57380 | Homo sapiens (human) | IC50 | 1.6000 | 1 | 1 |
| in 1130 | Homo sapiens (human) | IC50 | 0.0196 | 1 | 1 |
| mk-0249 | Homo sapiens (human) | IC50 | 27.0000 | 1 | 1 |
| ku-0060648 | Homo sapiens (human) | IC50 | 10.0000 | 1 | 1 |
| dactolisib | Homo sapiens (human) | IC50 | 0.0790 | 1 | 1 |
| odoratin | Homo sapiens (human) | IC50 | 70.0000 | 1 | 1 |
| dihydrotetrabenazine, (2alpha,3beta,11bbeta)-isomer | Homo sapiens (human) | IC50 | 100.0000 | 1 | 1 |
| gsk188909 | Homo sapiens (human) | IC50 | 6.2000 | 1 | 1 |
| trelagliptin | Homo sapiens (human) | IC50 | 10.0000 | 1 | 1 |
| n-(3-fluorophenyl)-1-((4-(((3s)-3-methyl-1-piperazinyl)methyl)phenyl)acetyl)-4-piperidinamine | Homo sapiens (human) | IC50 | 34.0000 | 1 | 1 |
| amodiaquine hydrochloride | Homo sapiens (human) | IC50 | 6.1000 | 2 | 2 |
| cct129202 | Homo sapiens (human) | IC50 | 10.0000 | 1 | 1 |
| vx-770 | Homo sapiens (human) | IC50 | 20.0000 | 2 | 2 |
| pamapimod | Homo sapiens (human) | IC50 | 29.0000 | 1 | 1 |
| bms 687453 | Homo sapiens (human) | IC50 | 40.0000 | 1 | 1 |
| gsk 1004723 | Homo sapiens (human) | IC50 | 0.0400 | 1 | 1 |
| mavatrep | Homo sapiens (human) | IC50 | 0.0068 | 1 | 1 |
| cct 128930 | Homo sapiens (human) | IC50 | 0.8300 | 2 | 2 |
| lu aa33810 | Homo sapiens (human) | IC50 | 10.0000 | 1 | 1 |
| fevipiprant | Homo sapiens (human) | IC50 | 100.0000 | 1 | 1 |
| yil 781 | Homo sapiens (human) | IC50 | 13.0000 | 1 | 1 |
| a 867744 | Homo sapiens (human) | IC50 | 2.0000 | 1 | 1 |
| azd3988 | Homo sapiens (human) | IC50 | 30.0000 | 1 | 1 |
| azd1283 | Homo sapiens (human) | IC50 | 0.0110 | 1 | 1 |
| gsk1482160 | Homo sapiens (human) | IC50 | 0.1000 | 1 | 1 |
| serlopitant | Homo sapiens (human) | IC50 | 35.0000 | 1 | 1 |
| olaparib | Homo sapiens (human) | IC50 | 0.0200 | 1 | 1 |
| largazole | Homo sapiens (human) | IC50 | 0.3400 | 1 | 1 |
| pf 04457845 | Homo sapiens (human) | IC50 | 14.5000 | 1 | 1 |
| gdc 0449 | Homo sapiens (human) | IC50 | 20.0000 | 1 | 1 |
| bms 754807 | Homo sapiens (human) | IC50 | 20.0010 | 2 | 2 |
| gdc-0068 | Homo sapiens (human) | IC50 | 0.1570 | 1 | 1 |
| pci 32765 | Homo sapiens (human) | IC50 | 50.0384 | 2 | 2 |
| N-cyclopropyl-3-{4-[(cyclopropylmethyl)carbamoyl]phenyl}-4-methylbenzamide | Homo sapiens (human) | IC50 | 10.0000 | 1 | 1 |
| at13148 | Homo sapiens (human) | IC50 | 10.0000 | 1 | 0 |
| pf 3246799 | Homo sapiens (human) | IC50 | 30.0000 | 1 | 1 |
| cobicistat | Homo sapiens (human) | IC50 | 9.2000 | 1 | 1 |
| bms-790052 | Homo sapiens (human) | IC50 | 100.0000 | 3 | 3 |
| glasdegib | Homo sapiens (human) | IC50 | 30.0000 | 1 | 1 |
| azd7687 | Homo sapiens (human) | IC50 | 30.0000 | 1 | 1 |
| GDC-0623 | Homo sapiens (human) | IC50 | 10.0000 | 1 | 1 |
| mk 2461 | Homo sapiens (human) | IC50 | 100.0000 | 1 | 1 |
| osilodrostat | Homo sapiens (human) | IC50 | 10.0000 | 1 | 1 |
| e-52862 | Homo sapiens (human) | IC50 | 7.3500 | 2 | 2 |
| pki 587 | Homo sapiens (human) | IC50 | 50.0000 | 1 | 1 |
| bi 653048 bs h3po4 | Homo sapiens (human) | IC50 | 41.0000 | 1 | 1 |
| 2-((r-5-chloro-4-methoxymethylindan-1-yl)-1h-imidazole) | Homo sapiens (human) | IC50 | 6.6000 | 1 | 1 |
| bms 694153 | Homo sapiens (human) | IC50 | 25.5000 | 2 | 2 |
| mk-8033 | Homo sapiens (human) | IC50 | 46.1700 | 1 | 1 |
| kb-nb142-70 | Homo sapiens (human) | IC50 | 0.0283 | 1 | 1 |
| mk-7246 | Homo sapiens (human) | IC50 | 65.0000 | 2 | 2 |
| sofosbuvir | Homo sapiens (human) | IC50 | 100.0000 | 1 | 1 |
| sb 1518 | Homo sapiens (human) | IC50 | 0.0190 | 1 | 1 |
| (3R)-4-[2-(1H-indol-4-yl)-6-(1-methylsulfonylcyclopropyl)-4-pyrimidinyl]-3-methylmorpholine | Homo sapiens (human) | IC50 | 10.0000 | 1 | 1 |
| gsk525762a | Homo sapiens (human) | IC50 | 33.0000 | 1 | 1 |
| glpg0634 | Homo sapiens (human) | IC50 | 85.0000 | 2 | 2 |
| tubastatin a | Homo sapiens (human) | IC50 | 16.4000 | 1 | 1 |
| kaf156 | Homo sapiens (human) | IC50 | 6.0000 | 2 | 2 |
| epoxyazadiradione | Homo sapiens (human) | IC50 | 6.4000 | 1 | 1 |
| (5s,6s,9r)-5-amino-6-(2,3-difluorophenyl)-6,7,8,9-tetrahydro-5h-cyclohepta(b)pyridin-9-yl 4-(2-oxo-2,3-dihydro-1h-imidazo(4,5-b)pyridin-1-yl)piperidine-1-carboxylate | Homo sapiens (human) | IC50 | 20.0000 | 1 | 1 |
| i-bet726 | Homo sapiens (human) | IC50 | 33.0000 | 1 | 1 |
| ml298 | Homo sapiens (human) | IC50 | 7.9000 | 1 | 1 |
| lesinurad | Homo sapiens (human) | IC50 | 74.9000 | 1 | 3 |
| raltegravir | Homo sapiens (human) | IC50 | 50.0000 | 1 | 1 |
| rk 682 | Homo sapiens (human) | IC50 | 4.6000 | 1 | 1 |
| phenprocoumon | Homo sapiens (human) | IC50 | 528.0000 | 1 | 1 |
| dolutegravir | Homo sapiens (human) | IC50 | 90.0000 | 2 | 3 |
| ew-7197 | Homo sapiens (human) | IC50 | 0.0165 | 1 | 1 |
| ew-7197 | Homo sapiens (human) | Ki | 0.0206 | 1 | 1 |
| cep-32496 | Homo sapiens (human) | IC50 | 10.0000 | 1 | 1 |
| pbtz169 | Homo sapiens (human) | IC50 | 10.0000 | 1 | 1 |
| gsk2336805 | Homo sapiens (human) | IC50 | 33.0000 | 1 | 1 |
| vu0364572 | Homo sapiens (human) | IC50 | 25.0000 | 1 | 1 |
| armeniaspirol a | Homo sapiens (human) | IC50 | 10.0000 | 1 | 1 |
| gs-9973 | Homo sapiens (human) | IC50 | 10.0000 | 1 | 1 |
| ly3000328 | Homo sapiens (human) | IC50 | 0.0017 | 1 | 1 |
| amg319 | Homo sapiens (human) | IC50 | 27.0000 | 1 | 1 |
| n-((3-isopropylisoxazol-5-yl)methyl)-4-methoxy-3-((1-methylpiperidin-4-yl)oxy)benzamide | Homo sapiens (human) | IC50 | 30.0000 | 2 | 2 |
| ajmaline | Homo sapiens (human) | IC50 | 1.0000 | 1 | 0 |
| 4-((1-butyl-3-phenylureido)methyl)-n-hydroxybenzamide | Homo sapiens (human) | IC50 | 3.0200 | 1 | 1 |
| vu0467154 | Homo sapiens (human) | IC50 | 30.0000 | 1 | 1 |
| onc201 | Homo sapiens (human) | IC50 | 7.7300 | 1 | 1 |
| azd3759 | Homo sapiens (human) | IC50 | 0.0500 | 1 | 1 |
| MLI-2 | Homo sapiens (human) | IC50 | 50.0000 | 1 | 1 |
| PF-06446846 | Homo sapiens (human) | IC50 | 30.0000 | 1 | 1 |
| 3-chloro-5-(6-(5-fluoropyridin-2-yl)pyrimidin-4-yl)benzonitrile | Homo sapiens (human) | IC50 | 15.8489 | 1 | 1 |
| at 9283 | Homo sapiens (human) | IC50 | 10.0000 | 1 | 1 |
| 4-hydroxyquinazoline | Homo sapiens (human) | Ki | 500.0000 | 1 | 1 |
| 2-[(4-chlorophenyl)methylthio]-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one | Homo sapiens (human) | IC50 | 20.0000 | 1 | 1 |
| mk 6892 | Homo sapiens (human) | IC50 | 100.0000 | 1 | 1 |
| bms 536924 | Homo sapiens (human) | IC50 | 40.0000 | 1 | 1 |
| 4-[[(4-oxo-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)thio]methyl]benzoic acid methyl ester | Homo sapiens (human) | IC50 | 20.0000 | 1 | 1 |
| XL413 | Homo sapiens (human) | IC50 | 50.0000 | 1 | 1 |
| amg 221 | Homo sapiens (human) | IC50 | 15.0000 | 1 | 1 |
| thiamet g | Homo sapiens (human) | IC50 | 50.0000 | 1 | 1 |
| as1940477 | Homo sapiens (human) | IC50 | 50.0000 | 1 | 1 |
Drugs with Activation Measurements
| Drug | Taxonomy | Measurement | Average (mM) | Bioassay(s) | Publication(s) |
|---|
| chlorpromazine | Homo sapiens (human) | EC50 | 2.0000 | 1 | 1 |
| sr141716 | Homo sapiens (human) | EC50 | 10.0000 | 1 | 1 |
| tretinoin | Homo sapiens (human) | EC50 | 0.0002 | 1 | 1 |
| axitinib | Homo sapiens (human) | Kd | 0.0037 | 1 | 1 |
| l-165041 | Homo sapiens (human) | EC50 | 0.0610 | 1 | 1 |
| gft505 | Homo sapiens (human) | EC50 | 0.1150 | 1 | 1 |
| pf 04217903 | Homo sapiens (human) | EC50 | 0.0003 | 1 | 1 |
| tak-875 | Homo sapiens (human) | EC50 | 0.0019 | 1 | 1 |
| amg-837 | Homo sapiens (human) | EC50 | 0.0022 | 1 | 1 |
| ceritinib | Homo sapiens (human) | EC50 | 4.4400 | 1 | 1 |
Drugs with Other Measurements
Cytochrome p450 enzymes mechanism based inhibitors: common sub-structures and reactivity.Current drug metabolism, , Volume: 6, Issue:5, 2005
Metabolic regio- and stereoselectivity of cytochrome P450 2D6 towards 3,4-methylenedioxy-N-alkylamphetamines: in silico predictions and experimental validation.Journal of medicinal chemistry, , Sep-22, Volume: 48, Issue:19, 2005
Coumarins and other fused bicyclic heterocycles with selective tumor-associated carbonic anhydrase isoforms inhibitory activity.Bioorganic & medicinal chemistry, , 01-15, Volume: 25, Issue:2, 2017
Lead Development of Thiazolylsulfonamides with Carbonic Anhydrase Inhibitory Action.Journal of medicinal chemistry, , 04-13, Volume: 60, Issue:7, 2017
Click-tailed coumarins with potent and selective inhibitory action against the tumor-associated carbonic anhydrases IX and XII.Bioorganic & medicinal chemistry, , Nov-01, Volume: 23, Issue:21, 2015
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 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
X-ray Structures of Target-Ligand Complexes Containing Compounds with Assay Interference Potential.Journal of medicinal chemistry, , 02-08, Volume: 61, Issue:3, 2018
Development of a pharmacophore for inhibition of human liver cytochrome P-450 2D6: molecular modeling and inhibition studies.Journal of medicinal chemistry, , Apr-30, Volume: 36, Issue:9, 1993
Validation of model of cytochrome P450 2D6: an in silico tool for predicting metabolism and inhibition.Journal of medicinal chemistry, , Oct-21, Volume: 47, Issue:22, 2004
Homology modeling of rat and human cytochrome P450 2D (CYP2D) isoforms and computational rationalization of experimental ligand-binding specificities.Journal of medicinal chemistry, , Jan-02, Volume: 46, Issue:1, 2003
[no title available],
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
Benzazaborinines as Novel Bioisosteric Replacements of Naphthalene: Propranolol as an Example.Journal of medicinal chemistry, , Dec-10, Volume: 58, Issue:23, 2015
A 3D-QSAR model for CYP2D6 inhibition in the aryloxypropanolamine series.Bioorganic & medicinal chemistry letters, , Sep-01, Volume: 15, Issue:17, 2005
[no title available],
Validation of model of cytochrome P450 2D6: an in silico tool for predicting metabolism and inhibition.Journal of medicinal chemistry, , Oct-21, Volume: 47, Issue:22, 2004
Development of a pharmacophore for inhibition of human liver cytochrome P-450 2D6: molecular modeling and inhibition studies.Journal of medicinal chemistry, , Apr-30, Volume: 36, Issue:9, 1993
[no title available],
Synthesis and biological evaluation of pyrrole-based chalcones as CYP1 enzyme inhibitors, for possible prevention of cancer and overcoming cisplatin resistance.Bioorganic & medicinal chemistry letters, , 08-15, Volume: 27, Issue:16, 2017
Quinazoline derivatives as selective CYP1B1 inhibitors.European journal of medicinal chemistry, , Apr-21, Volume: 130, 2017
[no title available]Bioorganic & medicinal chemistry letters, , 12-15, Volume: 27, Issue:24, 2017
(E)-3-(3,4,5-Trimethoxyphenyl)-1-(pyridin-4-yl)prop-2-en-1-one, a heterocyclic chalcone is a potent and selective CYP1A1 inhibitor and cancer chemopreventive agent.Bioorganic & medicinal chemistry letters, , 12-15, Volume: 27, Issue:24, 2017
Discovery of SMP-304, a novel benzylpiperidine derivative with serotonin transporter inhibitory activity and 5-HTBioorganic & medicinal chemistry, , 01-01, Volume: 25, Issue:1, 2017
Cytochrome p450 enzymes mechanism based inhibitors: common sub-structures and reactivity.Current drug metabolism, , Volume: 6, Issue:5, 2005
[no title available],
Synthesis and structure-activity relationships of selective norepinephrine reuptake inhibitors (sNRI) with improved pharmaceutical characteristics.Bioorganic & medicinal chemistry letters, , Dec-01, Volume: 18, Issue:23, 2008
Structure-activity relationships of chiral selective norepinephrine reuptake inhibitors (sNRI) with increased oxidative stability.Bioorganic & medicinal chemistry letters, , Aug-15, Volume: 18, Issue:16, 2008
Synthesis and biological evaluation of 3-phenethylazetidine derivatives as triple reuptake inhibitors.Bioorganic & medicinal chemistry letters, , Aug-01, Volume: 24, Issue:15, 2014
Exploration of 3-Aminoazetidines as Triple Reuptake Inhibitors by Bioisosteric Modification of 3-α-Oxyazetidine.ACS medicinal chemistry letters, , Sep-11, Volume: 5, Issue:9, 2014
A novel class of 3-(phenoxy-phenyl-methyl)-pyrrolidines as potent and balanced norepinephrine and serotonin reuptake inhibitors: synthesis and structure-activity relationships.Bioorganic & medicinal chemistry letters, , Mar-01, Volume: 23, Issue:5, 2013
4-Piperidines and 3-pyrrolidines as dual serotonin and noradrenaline reuptake inhibitors: design, synthesis and structure-activity relationships.Bioorganic & medicinal chemistry letters, , May-15, Volume: 19, Issue:10, 2009
Novel, achiral aminoheterocycles as selective monoamine reuptake inhibitors.Bioorganic & medicinal chemistry letters, , Aug-15, Volume: 19, Issue:16, 2009
Synthesis, antimalarial activity, and preclinical pharmacology of a novel series of 4'-fluoro and 4'-chloro analogues of amodiaquine. Identification of a suitable "back-up" compound for N-tert-butyl isoquine.Journal of medicinal chemistry, , Apr-09, Volume: 52, Issue:7, 2009
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
2,6-Disubstituted pyrazines and related analogs as NR2B site antagonists of the NMDA receptor with anti-depressant activity.Bioorganic & medicinal chemistry letters, , Jun-01, Volume: 21, Issue:11, 2011
Discovery of (-)-6-[2-[4-(3-fluorophenyl)-4-hydroxy-1-piperidinyl]-1-hydroxyethyl]-3,4-dihydro-2(1H)-quinolinone--a potent NR2B-selective N-methyl D-aspartate (NMDA) antagonist for the treatment of pain.Bioorganic & medicinal chemistry letters, , Oct-15, Volume: 17, Issue:20, 2007
Discovery of Novel Bicyclic Imidazolopyridine-Containing Human Urate Transporter 1 Inhibitors as Hypouricemic Drug Candidates with Improved Efficacy and Favorable Druggability.Journal of medicinal chemistry, , 03-10, Volume: 65, Issue:5, 2022
Structure-Based Discovery of Novel NHJournal of medicinal chemistry, , 06-23, Volume: 65, Issue:12, 2022
[no title available]Journal of medicinal chemistry, , 12-22, Volume: 65, Issue:24, 2022
[no title available]Journal of medicinal chemistry, , 09-08, Volume: 65, Issue:17, 2022
4th generation nonsteroidal aromatase inhibitors: An iterative SAR-guided design, synthesis, and biological evaluation towards picomolar dual binding inhibitors.European journal of medicinal chemistry, , Oct-05, Volume: 240, 2022
Discovery of Novel Pyridine-Dimethyl-Phenyl-DAPY Hybrids by Molecular Fusing of Methyl-Pyrimidine-DAPYs and Difluoro-Pyridinyl-DAPYs: Improving the Druggability toward High Inhibitory Activity, Solubility, Safety, and PK.Journal of medicinal chemistry, , 02-10, Volume: 65, Issue:3, 2022
[no title available]Journal of medicinal chemistry, , 06-09, Volume: 65, Issue:11, 2022
Identification of C5-NHJournal of medicinal chemistry, , 12-23, Volume: 64, Issue:24, 2021
Discovery of Novel Acetamide-Based Heme Oxygenase-1 Inhibitors with Potent Journal of medicinal chemistry, , 09-23, Volume: 64, Issue:18, 2021
Synthesis, Characterization, and Preclinical Evaluation of a Small-Molecule Prostate-Specific Membrane Antigen-Targeted Monomethyl Auristatin E Conjugate.Journal of medicinal chemistry, , 12-09, Volume: 64, Issue:23, 2021
Improving Druggability of Novel Diarylpyrimidine NNRTIs by a Fragment-Based Replacement Strategy: From Biphenyl-DAPYs to Heteroaromatic-Biphenyl-DAPYs.Journal of medicinal chemistry, , 07-22, Volume: 64, Issue:14, 2021
Discovery and development of novel pyrimidine and pyrazolo/thieno-fused pyrimidine derivatives as potent and orally active inducible nitric oxide synthase dimerization inhibitor with efficacy for arthritis.European journal of medicinal chemistry, , Mar-05, Volume: 213, 2021
Discovery of 1-Amino-1Journal of medicinal chemistry, , 11-11, Volume: 64, Issue:21, 2021
[no title available]Journal of medicinal chemistry, , 09-23, Volume: 64, Issue:18, 2021
Substituted benzothiophene and benzofuran derivatives as a novel class of bone morphogenetic Protein-2 upregulators: Synthesis, anti-osteoporosis efficacies in ovariectomized rats and a zebrafish model, and ADME properties.European journal of medicinal chemistry, , Aug-15, Volume: 200, 2020
Discovery of a Conformationally Constrained Oxazolidinone with Improved Safety and Efficacy Profiles for the Treatment of Multidrug-Resistant Tuberculosis.Journal of medicinal chemistry, , 09-10, Volume: 63, Issue:17, 2020
Nitrogen-Walk Approach to Explore Bioisosteric Replacements in a Series of Potent AJournal of medicinal chemistry, , 07-23, Volume: 63, Issue:14, 2020
[no title available]Journal of medicinal chemistry, , 03-14, Volume: 62, Issue:5, 2019
Evaluation of Amides, Carbamates, Sulfonamides, and Ureas of 4-Prop-2-ynylidenecycloalkylamine as Potent, Selective, and Bioavailable Negative Allosteric Modulators of Metabotropic Glutamate Receptor 5.Journal of medicinal chemistry, , 02-14, Volume: 62, Issue:3, 2019
Development of Robust 17(Journal of medicinal chemistry, , 11-27, Volume: 62, Issue:22, 2019
Design, Synthesis, and Biological Evaluation of New 1-(Aryl-1 H-pyrrolyl)(phenyl)methyl-1 H-imidazole Derivatives as Antiprotozoal Agents.Journal of medicinal chemistry, , 02-14, Volume: 62, Issue:3, 2019
Search for a 5-CT alternative. MedChemComm, , Nov-01, Volume: 9, Issue:11, 2018
[no title available]Bioorganic & medicinal chemistry, , 10-15, Volume: 25, Issue:20, 2017
2-(3-Methoxyphenyl)quinazoline Derivatives: A New Class of Direct Constitutive Androstane Receptor (CAR) Agonists.Journal of medicinal chemistry, , 05-26, Volume: 59, Issue:10, 2016
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
Discovery of potent and selective cytotoxic activity of new quinazoline-ureas against TMZ-resistant glioblastoma multiforme (GBM).European journal of medicinal chemistry, , Oct-20, Volume: 103, 2015
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
Synthesis and biological evaluation of 3-phenethylazetidine derivatives as triple reuptake inhibitors.Bioorganic & medicinal chemistry letters, , Aug-01, Volume: 24, Issue:15, 2014
Chemical synthesis, cytotoxicity, selectivity and bioavailability of 5α-androstane-3α,17β-diol derivatives.Bioorganic & medicinal chemistry, , Nov-01, Volume: 22, Issue:21, 2014
Exploration of 3-Aminoazetidines as Triple Reuptake Inhibitors by Bioisosteric Modification of 3-α-Oxyazetidine.ACS medicinal chemistry letters, , Sep-11, Volume: 5, Issue:9, 2014
Investigation of a novel series of 2-hydroxyisoquinoline-1,3(2H,4H)-diones as human immunodeficiency virus type 1 integrase inhibitors.Journal of medicinal chemistry, , Jun-12, Volume: 57, Issue:11, 2014
New serotonin 5-HT1A receptor agonists endowed with antinociceptive activity in vivo.Journal of medicinal chemistry, , Oct-24, Volume: 56, Issue:20, 2013
Cytochrome P450 3A4 inhibitory constituents of the wood of Taxus yunnanensis.Journal of natural products, , Jan-28, Volume: 74, Issue:1, 2011
Fine-tuning the selectivity of aldosterone synthase inhibitors: structure-activity and structure-selectivity insights from studies of heteroaryl substituted 1,2,5,6-tetrahydropyrrolo[3,2,1-ij]quinolin-4-one derivatives.Journal of medicinal chemistry, , Apr-14, Volume: 54, Issue:7, 2011
New drug-like hydroxyphenylnaphthol steroidomimetics as potent and selective 17β-hydroxysteroid dehydrogenase type 1 inhibitors for the treatment of estrogen-dependent diseases.Journal of medicinal chemistry, , Jan-27, Volume: 54, Issue:2, 2011
Structure-activity relationship and studies on the molecular mechanism of leishmanicidal N,C-coupled arylisoquinolinium salts.Journal of medicinal chemistry, , Feb-12, Volume: 52, Issue:3, 2009
Overcoming undesirable CYP1A2 inhibition of pyridylnaphthalene-type aldosterone synthase inhibitors: influence of heteroaryl derivatization on potency and selectivity.Journal of medicinal chemistry, , Aug-28, Volume: 51, Issue:16, 2008
Novel aldosterone synthase inhibitors with extended carbocyclic skeleton by a combined ligand-based and structure-based drug design approach.Journal of medicinal chemistry, , Oct-09, Volume: 51, Issue:19, 2008
Design, synthesis, and biological evaluation of (hydroxyphenyl)naphthalene and -quinoline derivatives: potent and selective nonsteroidal inhibitors of 17beta-hydroxysteroid dehydrogenase type 1 (17beta-HSD1) for the treatment of estrogen-dependent diseaseJournal of medicinal chemistry, , Apr-10, Volume: 51, Issue:7, 2008
In vivo active aldosterone synthase inhibitors with improved selectivity: lead optimization providing a series of pyridine substituted 3,4-dihydro-1H-quinolin-2-one derivatives.Journal of medicinal chemistry, , Dec-25, Volume: 51, Issue:24, 2008
Synthesis and evaluation of heteroaryl-substituted dihydronaphthalenes and indenes: potent and selective inhibitors of aldosterone synthase (CYP11B2) for the treatment of congestive heart failure and myocardial fibrosis.Journal of medicinal chemistry, , Apr-06, Volume: 49, Issue:7, 2006
Validation of model of cytochrome P450 2D6: an in silico tool for predicting metabolism and inhibition.Journal of medicinal chemistry, , Oct-21, Volume: 47, Issue:22, 2004
Sesquiterpenes and flavonol glycosides from Zingiber aromaticum and their CYP3A4 and CYP2D6 inhibitory activities.Journal of natural products, , Volume: 67, Issue:7, 2004
Homology modeling of rat and human cytochrome P450 2D (CYP2D) isoforms and computational rationalization of experimental ligand-binding specificities.Journal of medicinal chemistry, , Jan-02, Volume: 46, Issue:1, 2003
Development of a pharmacophore for inhibition of human liver cytochrome P-450 2D6: molecular modeling and inhibition studies.Journal of medicinal chemistry, , Apr-30, Volume: 36, Issue:9, 1993
Incorporation of a chiral gem-disubstituted nitrogen heterocycle yields an oxazolidinone antibiotic with reduced mitochondrial toxicity.Bioorganic & medicinal chemistry letters, , 09-15, Volume: 29, Issue:18, 2019
Potent oxazolidinone antibacterials with heteroaromatic C-ring substructure.ACS medicinal chemistry letters, , Nov-14, Volume: 4, Issue:11, 2013
Antibacterial oxazolidinone analogues having a N-hydroxyacetyl-substituted seven-membered [1,2,5]triazepane or [1,2,5]oxadiazepane C-ring unit.European journal of medicinal chemistry, , Volume: 63, 2013
Biarylcarbamoylindolines are novel and selective 5-HT(2C) receptor inverse agonists: identification of 5-methyl-1-[[2-[(2-methyl-3-pyridyl)oxy]- 5-pyridyl]carbamoyl]-6-trifluoromethylindoline (SB-243213) as a potential antidepressant/anxiolytic agent.Journal of medicinal chemistry, , Mar-23, Volume: 43, Issue:6, 2000
6-Chloro-5-methyl-1-[[2-[(2-methyl-3-pyridyl)oxy]-5-pyridyl]carbamoyl]- indoline (SB-242084): the first selective and brain penetrant 5-HT2C receptor antagonist.Journal of medicinal chemistry, , Oct-24, Volume: 40, Issue:22, 1997
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
Novel non-sulfonamide 5-HTEuropean journal of medicinal chemistry, , Jan-20, Volume: 144, 2018
Catalytic site prediction and virtual screening of cytochrome P450 2D6 substrates by consideration of water and rescoring in automated docking.Journal of medicinal chemistry, , Apr-20, Volume: 49, Issue:8, 2006
Heteroaryl-substituted naphthalenes and structurally modified derivatives: selective inhibitors of CYP11B2 for the treatment of congestive heart failure and myocardial fibrosis.Journal of medicinal chemistry, , Oct-20, Volume: 48, Issue:21, 2005
[no title available]European journal of medicinal chemistry, , Aug-05, Volume: 238, 2022
Pyrazole and isoxazole derivatives as new, potent, and selective 20-hydroxy-5,8,11,14-eicosatetraenoic acid synthase inhibitors.Journal of medicinal chemistry, , Dec-04, Volume: 46, Issue:25, 2003
Discovery of a N'-hydroxyphenylformamidine derivative HET0016 as a potent and selective 20-HETE synthase inhibitor.Bioorganic & medicinal chemistry letters, , Dec-03, Volume: 11, Issue:23, 2001
Evaluation of Amides, Carbamates, Sulfonamides, and Ureas of 4-Prop-2-ynylidenecycloalkylamine as Potent, Selective, and Bioavailable Negative Allosteric Modulators of Metabotropic Glutamate Receptor 5.Journal of medicinal chemistry, , 02-14, Volume: 62, Issue:3, 2019
Discovery and Preclinical Characterization of 3-((4-(4-Chlorophenyl)-7-fluoroquinoline-3-yl)sulfonyl)benzonitrile, a Novel Non-acetylenic Metabotropic Glutamate Receptor 5 (mGluR5) Negative Allosteric Modulator for Psychiatric Indications.Journal of medicinal chemistry, , 03-23, Volume: 60, Issue:6, 2017
[no title available]European journal of medicinal chemistry, , Jan-01, Volume: 185, 2020
Catalytic site prediction and virtual screening of cytochrome P450 2D6 substrates by consideration of water and rescoring in automated docking.Journal of medicinal chemistry, , Apr-20, Volume: 49, Issue:8, 2006
Homology modeling of rat and human cytochrome P450 2D (CYP2D) isoforms and computational rationalization of experimental ligand-binding specificities.Journal of medicinal chemistry, , Jan-02, Volume: 46, Issue:1, 2003
Development of a pharmacophore for inhibition of human liver cytochrome P-450 2D6: molecular modeling and inhibition studies.Journal of medicinal chemistry, , Apr-30, Volume: 36, Issue:9, 1993
Biarylcarbamoylindolines are novel and selective 5-HT(2C) receptor inverse agonists: identification of 5-methyl-1-[[2-[(2-methyl-3-pyridyl)oxy]- 5-pyridyl]carbamoyl]-6-trifluoromethylindoline (SB-243213) as a potential antidepressant/anxiolytic agent.Journal of medicinal chemistry, , Mar-23, Volume: 43, Issue:6, 2000
6-Chloro-5-methyl-1-[[2-[(2-methyl-3-pyridyl)oxy]-5-pyridyl]carbamoyl]- indoline (SB-242084): the first selective and brain penetrant 5-HT2C receptor antagonist.Journal of medicinal chemistry, , Oct-24, Volume: 40, Issue:22, 1997
[no title available]European journal of medicinal chemistry, , Oct-05, Volume: 240, 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
Optimized experimental design for the estimation of enzyme kinetic parameters: an experimental evaluation.Drug metabolism and disposition: the biological fate of chemicals, , Volume: 40, Issue:12, 2012
Catalytic site prediction and virtual screening of cytochrome P450 2D6 substrates by consideration of water and rescoring in automated docking.Journal of medicinal chemistry, , Apr-20, Volume: 49, Issue:8, 2006
Homology modeling of rat and human cytochrome P450 2D (CYP2D) isoforms and computational rationalization of experimental ligand-binding specificities.Journal of medicinal chemistry, , Jan-02, Volume: 46, Issue:1, 2003
Novel HIV-1 protease inhibitors active against multiple PI-resistant viral strains: coadministration with indinavir.Bioorganic & medicinal chemistry letters, , Nov-17, Volume: 13, Issue:22, 2003
Synthesis and activity of novel HIV protease inhibitors with improved potency against multiple PI-resistant viral strains.Bioorganic & medicinal chemistry letters, , Sep-02, Volume: 12, Issue:17, 2002
[no title available]European journal of medicinal chemistry, , Oct-05, Volume: 240, 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
Improving Druggability of Novel Diarylpyrimidine NNRTIs by a Fragment-Based Replacement Strategy: From Biphenyl-DAPYs to Heteroaromatic-Biphenyl-DAPYs.Journal of medicinal chemistry, , 07-22, Volume: 64, Issue:14, 2021
[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
Evaluation of Amides, Carbamates, Sulfonamides, and Ureas of 4-Prop-2-ynylidenecycloalkylamine as Potent, Selective, and Bioavailable Negative Allosteric Modulators of Metabotropic Glutamate Receptor 5.Journal of medicinal chemistry, , 02-14, Volume: 62, Issue:3, 2019
Synthesis and biological evaluation of 3-phenethylazetidine derivatives as triple reuptake inhibitors.Bioorganic & medicinal chemistry letters, , Aug-01, Volume: 24, Issue:15, 2014
Novel 3,3-disubstituted pyrrolidines as selective triple serotonin/norepinephrine/dopamine reuptake inhibitors.Bioorganic & medicinal chemistry letters, , Dec-01, Volume: 18, Issue:23, 2008
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
Return of DJournal of medicinal chemistry, , 09-14, Volume: 60, Issue:17, 2017
Evaluation of basic, heterocyclic ring systems as templates for use as potassium competitive acid blockers (pCABs).Bioorganic & medicinal chemistry letters, , Dec-01, Volume: 19, Issue:23, 2009
Orally active C-6 heteroaryl- and heterocyclyl-substituted imidazo[1,2-a]pyridine acid pump antagonists (APAs).Bioorganic & medicinal chemistry letters, , Jul-01, Volume: 19, Issue:13, 2009
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
The identification of clinical candidate SB-480848: a potent inhibitor of lipoprotein-associated phospholipase A2.Bioorganic & medicinal chemistry letters, , Mar-24, Volume: 13, Issue:6, 2003
The discovery of SB-435495. A potent, orally active inhibitor of lipoprotein-associated phospholipase A(2) for evaluation in man.Bioorganic & medicinal chemistry letters, , Sep-16, Volume: 12, Issue:18, 2002
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
Amino-Heterocycle Tetrahydroisoquinoline CXCR4 Antagonists with Improved ADME Profiles via Late-Stage Buchwald Couplings.ACS medicinal chemistry letters, , Oct-14, Volume: 12, Issue:10, 2021
Discovery of Tetrahydroisoquinoline-Containing CXCR4 Antagonists with Improved in Vitro ADMET Properties.Journal of medicinal chemistry, , 02-08, Volume: 61, Issue:3, 2018
Discovery of ACS medicinal chemistry letters, , May-10, Volume: 9, Issue:5, 2018
Discovery of Novel Tricyclic Heterocycles as Potent and Selective DPP-4 Inhibitors for the Treatment of Type 2 Diabetes.ACS medicinal chemistry letters, , May-12, Volume: 7, Issue:5, 2016
Design and synthesis of pyrimidinone and pyrimidinedione inhibitors of dipeptidyl peptidase IV.Journal of medicinal chemistry, , Jan-27, Volume: 54, Issue:2, 2011
Pyridyl-2,5-diketopiperazines as potent, selective, and orally bioavailable oxytocin antagonists: synthesis, pharmacokinetics, and in vivo potency.Journal of medicinal chemistry, , Jan-26, Volume: 55, Issue:2, 2012
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
Synthesis, antimalarial activity, and preclinical pharmacology of a novel series of 4'-fluoro and 4'-chloro analogues of amodiaquine. Identification of a suitable "back-up" compound for N-tert-butyl isoquine.Journal of medicinal chemistry, , Apr-09, Volume: 52, Issue:7, 2009
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
Discovery of 4-amino-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamides as selective, orally active inhibitors of protein kinase B (Akt).Journal of medicinal chemistry, , Mar-11, Volume: 53, Issue:5, 2010
Identification of 4-(4-aminopiperidin-1-yl)-7H-pyrrolo[2,3-d]pyrimidines as selective inhibitors of protein kinase B through fragment elaboration.Journal of medicinal chemistry, , Apr-10, Volume: 51, Issue:7, 2008
Proline isosteres in a series of 2,4-disubstituted pyrrolo[1,2-f][1,2,4]triazine inhibitors of IGF-1R kinase and IR kinase.Bioorganic & medicinal chemistry letters, , Sep-01, Volume: 20, Issue:17, 2010
Discovery of a 2,4-disubstituted pyrrolo[1,2-f][1,2,4]triazine inhibitor (BMS-754807) of insulin-like growth factor receptor (IGF-1R) kinase in clinical development.Journal of medicinal chemistry, , Dec-10, Volume: 52, Issue:23, 2009
Discovery and Evaluation of Pyrazolo[3,4-ACS medicinal chemistry letters, , Oct-08, Volume: 11, Issue:10, 2020
Discovery of Zanubrutinib (BGB-3111), a Novel, Potent, and Selective Covalent Inhibitor of Bruton's Tyrosine Kinase.Journal of medicinal chemistry, , 09-12, Volume: 62, Issue:17, 2019
Discovery of novel highly potent hepatitis C virus NS5A inhibitor (AV4025).Journal of medicinal chemistry, , Sep-25, Volume: 57, Issue:18, 2014
Synthesis and evaluation of non-dimeric HCV NS5A inhibitors.Bioorganic & medicinal chemistry letters, , Apr-01, Volume: 23, Issue:7, 2013
Synthesis and evaluation of novel potent HCV NS5A inhibitors.Bioorganic & medicinal chemistry letters, , Jul-15, Volume: 22, Issue:14, 2012
Discovery of MK-7246, a selective CRTH2 antagonist for the treatment of respiratory diseases.Bioorganic & medicinal chemistry letters, , Jan-01, Volume: 21, Issue:1, 2011
Novel tricyclic antagonists of the prostaglandin D2 receptor DP2 with efficacy in a murine model of allergic rhinitis.Bioorganic & medicinal chemistry letters, , Aug-15, Volume: 19, Issue:16, 2009
Discovery of the macrocycle 11-(2-pyrrolidin-1-yl-ethoxy)-14,19-dioxa-5,7,26-triaza-tetracyclo[19.3.1.1(2,6).1(8,12)]heptacosa-1(25),2(26),3,5,8,10,12(27),16,21,23-decaene (SB1518), a potent Janus kinase 2/fms-like tyrosine kinase-3 (JAK2/FLT3) inhibitor Journal of medicinal chemistry, , Jul-14, Volume: 54, Issue:13, 2011
Identification of TUL01101: A Novel Potent and Selective JAK1 Inhibitor for the Treatment of Rheumatoid Arthritis.Journal of medicinal chemistry, , 12-22, Volume: 65, Issue:24, 2022
Triazolopyridines as selective JAK1 inhibitors: from hit identification to GLPG0634.Journal of medicinal chemistry, , Nov-26, Volume: 57, Issue:22, 2014
Discovery of (5S,6S,9R)-5-amino-6-(2,3-difluorophenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-yl 4-(2-oxo-2,3-dihydro-1H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxylate (BMS-927711): an oral calcitonin gene-related peptide (CGRP) antagonist in cJournal of medicinal chemistry, , Dec-13, Volume: 55, Issue:23, 2012
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
Optimization of the choline transporter (CHT) inhibitor ML352: Development of VU6001221, an improved in vivo tool compound.Bioorganic & medicinal chemistry letters, , 10-01, Volume: 26, Issue:19, 2016
Synthesis and structure-activity relationships of a series of 4-methoxy-3-(piperidin-4-yl)oxy benzamides as novel inhibitors of the presynaptic choline transporter.Bioorganic & medicinal chemistry letters, , Apr-15, Volume: 25, Issue:8, 2015
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 8 target(s):
| Target | Category | Definition |
|---|
| monooxygenase activity | molecular function | Catalysis of the incorporation of one atom from molecular oxygen into a compound and the reduction of the other atom of oxygen to water. [ISBN:0198506732] |
| iron ion binding | molecular function | Binding to an iron (Fe) ion. [GOC:ai] |
| oxidoreductase activity | molecular function | Catalysis of an oxidation-reduction (redox) reaction, a reversible chemical reaction in which the oxidation state of an atom or atoms within a molecule is altered. One substrate acts as a hydrogen or electron donor and becomes oxidized, while the other acts as hydrogen or electron acceptor and becomes reduced. [GOC:go_curators] |
| oxidoreductase activity, acting on paired donors, with incorporation or reduction of molecular oxygen, reduced flavin or flavoprotein as one donor, and incorporation of one atom of oxygen | molecular function | Catalysis of an oxidation-reduction (redox) reaction in which hydrogen or electrons are transferred from reduced flavin or flavoprotein and one other donor, and one atom of oxygen is incorporated into one donor. [GOC:mah] |
| heme binding | molecular function | Binding to a heme, a compound composed of iron complexed in a porphyrin (tetrapyrrole) ring. [GOC:ai] |
| anandamide 8,9 epoxidase activity | molecular function | Catalysis of the reaction: N-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-ethanolamine + O2 + reduced [NADPH--hemoprotein reductase] = H+ + H2O + N-(8,9-epoxy-5Z,11Z,14Z-eicosatrienoyl)-ethanolamine + oxidized [NADPH--hemoprotein reductase]. [PMID:21289075, RHEA:53140] |
| anandamide 11,12 epoxidase activity | molecular function | Catalysis of the reaction: N-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-ethanolamine + O2 + reduced [NADPH--hemoprotein reductase] = H+ + H2O + N-(11,12-epoxy-5Z,8Z,14Z-eicosatrienoyl)-ethanolamine + oxidized [NADPH--hemoprotein reductase]. [PMID:21289075, RHEA:53144] |
| anandamide 14,15 epoxidase activity | molecular function | Catalysis of the reaction: N-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-ethanolamine + O2 + reduced [NADPH--hemoprotein reductase] = H+ + H2O + N-(14,15-epoxy-5Z,8Z,11Z-eicosatrienoyl)-ethanolamine + oxidized [NADPH--hemoprotein reductase]. [PMID:21289075, RHEA:53148] |
Located In
This protein is located in 3 target(s):
| Target | Category | Definition |
|---|
| mitochondrion | cellular component | A semiautonomous, self replicating organelle that occurs in varying numbers, shapes, and sizes in the cytoplasm of virtually all eukaryotic cells. It is notably the site of tissue respiration. [GOC:giardia, ISBN:0198506732] |
| endoplasmic reticulum | cellular component | The irregular network of unit membranes, visible only by electron microscopy, that occurs in the cytoplasm of many eukaryotic cells. The membranes form a complex meshwork of tubular channels, which are often expanded into slitlike cavities called cisternae. The ER takes two forms, rough (or granular), with ribosomes adhering to the outer surface, and smooth (with no ribosomes attached). [ISBN:0198506732] |
| endoplasmic reticulum membrane | cellular component | The lipid bilayer surrounding the endoplasmic reticulum. [GOC:mah] |
Active In
This protein is active in 2 target(s):
| Target | Category | Definition |
|---|
| cytoplasm | cellular component | The contents of a cell excluding the plasma membrane and nucleus, but including other subcellular structures. [ISBN:0198547684] |
| intracellular membrane-bounded organelle | cellular component | Organized structure of distinctive morphology and function, bounded by a single or double lipid bilayer membrane and occurring within the cell. Includes the nucleus, mitochondria, plastids, vacuoles, and vesicles. Excludes the plasma membrane. [GOC:go_curators] |
Involved In
This protein is involved in 16 target(s):
| Target | Category | Definition |
|---|
| xenobiotic metabolic process | biological process | The chemical reactions and pathways involving a xenobiotic compound, a compound foreign to the organim exposed to it. It may be synthesized by another organism (like ampicilin) or it can be a synthetic chemical. [GOC:cab2, GOC:krc] |
| steroid metabolic process | biological process | The chemical reactions and pathways involving steroids, compounds with a 1,2,cyclopentanoperhydrophenanthrene nucleus. [ISBN:0198547684] |
| cholesterol metabolic process | biological process | The chemical reactions and pathways involving cholesterol, cholest-5-en-3 beta-ol, the principal sterol of vertebrates and the precursor of many steroids, including bile acids and steroid hormones. It is a component of the plasma membrane lipid bilayer and of plasma lipoproteins and can be found in all animal tissues. [ISBN:0198506732] |
| estrogen metabolic process | biological process | The chemical reactions and pathways involving estrogens, C18 steroid hormones that can stimulate the development of female sexual characteristics. Also found in plants. [ISBN:0198506732] |
| coumarin metabolic process | biological process | The chemical reactions and pathways involving coumarins, compounds derived from the phenylacrylic skeleton of cinnamic acids. [GOC:lr, GOC:yl] |
| alkaloid metabolic process | biological process | The chemical reactions and pathways involving alkaloids, nitrogen containing natural products which are not otherwise classified as peptides, nonprotein amino acids, amines, cyanogenic glycosides, glucosinolates, cofactors, phytohormones or primary metabolites (such as purine or pyrimidine bases). [GOC:lr, ISBN:0122146743] |
| alkaloid catabolic process | biological process | The chemical reactions and pathways resulting in the breakdown of alkaloids, nitrogen containing natural products not otherwise classified as peptides, nonprotein amino acids, amines, cyanogenic glycosides, glucosinolates, cofactors, phytohormones or primary metabolites (such as purine or pyrimidine bases). [GOC:lr, ISBN:0122146743] |
| monoterpenoid metabolic process | biological process | The chemical reactions and pathways involving monoterpenoid compounds, terpenoids having a C10 skeleton. [ISBN:0198547684] |
| isoquinoline alkaloid metabolic process | biological process | The chemical reactions and pathways involving isoquinoline alkaloids, alkaloid compounds that contain bicyclic N-containing aromatic rings and are derived from a 3,4-dihydroxytyramine (dopamine) precursor that undergoes a Schiff base addition with aldehydes of different origin. [GOC:mah, http://www.life.uiuc.edu/ib/425/lecture32.html] |
| xenobiotic catabolic process | biological process | The chemical reactions and pathways resulting in the breakdown of a xenobiotic compound, a compound foreign to the organim exposed to it. It may be synthesized by another organism (like ampicilin) or it can be a synthetic chemical. [GOC:jl, GOC:krc] |
| retinol metabolic process | biological process | The chemical reactions and pathways involving retinol, one of the three compounds that makes up vitamin A. [GOC:jl, http://www.indstate.edu/thcme/mwking/vitamins.html, PMID:1924551] |
| long-chain fatty acid biosynthetic process | biological process | The chemical reactions and pathways resulting in the formation of a long-chain fatty acid. A long-chain fatty acid has an aliphatic tail containing 13 to 22 carbons. [PMID:18390550] |
| negative regulation of binding | biological process | Any process that stops or reduces the rate or extent of binding, the selective interaction of a molecule with one or more specific sites on another molecule. [GOC:ai] |
| oxidative demethylation | biological process | The process of removing one or more methyl groups from a molecule, involving the oxidation (i.e. electron loss) of one or more atoms in the substrate. [GOC:BHF, GOC:mah, GOC:rl] |
| negative regulation of cellular organofluorine metabolic process | biological process | Any process that decreases the rate, frequency or extent of the chemical reactions and pathways involving organofluorine compounds, as carried out by individual cells. [GOC:BHF] |
| arachidonic acid metabolic process | biological process | The chemical reactions and pathways involving arachidonic acid, a straight chain fatty acid with 20 carbon atoms and four double bonds per molecule. Arachidonic acid is the all-Z-(5,8,11,14)-isomer. [ISBN:0198506732] |