Page last updated: 2024-08-07 15:39:47
Cytochrome P450 1A2
A cytochrome P450 1A2 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P05177]
Synonyms
EC 1.14.14.1;
CYPIA2;
Cholesterol 25-hydroxylase;
Cytochrome P(3)450;
Cytochrome P450 4;
Cytochrome P450-P3;
Hydroperoxy icosatetraenoate dehydratase;
4.2.1.152
Research
Bioassay Publications (255)
| Timeframe | Studies on this Protein(%) | All Drugs % |
|---|
| pre-1990 | 0 (0.00) | 18.7374 |
| 1990's | 1 (0.39) | 18.2507 |
| 2000's | 48 (18.82) | 29.6817 |
| 2010's | 168 (65.88) | 24.3611 |
| 2020's | 38 (14.90) | 2.80 |
Compounds (347)
Drugs with Inhibition Measurements
| Drug | Taxonomy | Measurement | Average (mM) | Bioassay(s) | Publication(s) |
|---|
| melatonin | Homo sapiens (human) | Ki | 12.0000 | 1 | 1 |
| naphthalene | Homo sapiens (human) | IC50 | 700.0000 | 1 | 1 |
| 3-methylcholanthrene | Homo sapiens (human) | IC50 | 0.3000 | 1 | 0 |
| pleconaril | Homo sapiens (human) | IC50 | 30.0594 | 2 | 2 |
| phenanthridone | Homo sapiens (human) | IC50 | 0.0160 | 1 | 0 |
| tacrine | Homo sapiens (human) | IC50 | 0.7875 | 2 | 2 |
| tacrine | Homo sapiens (human) | Ki | 1.9400 | 1 | 1 |
| acetazolamide | Homo sapiens (human) | Ki | 0.0295 | 3 | 11 |
| alosetron | Homo sapiens (human) | IC50 | 5.3024 | 2 | 1 |
| altretamine | Homo sapiens (human) | IC50 | 4.0000 | 1 | 0 |
| benzo(a)pyrene | Homo sapiens (human) | IC50 | 0.0400 | 1 | 0 |
| 5-methoxypsoralen | Homo sapiens (human) | IC50 | 0.0900 | 1 | 1 |
| 5-methoxypsoralen | Homo sapiens (human) | Ki | 0.0600 | 1 | 1 |
| beta-naphthoflavone | Homo sapiens (human) | IC50 | 0.2768 | 2 | 2 |
| ciprofloxacin | Homo sapiens (human) | IC50 | 50.0000 | 1 | 1 |
| disulfiram | Homo sapiens (human) | IC50 | 4.0000 | 1 | 0 |
| econazole | Homo sapiens (human) | IC50 | 0.3000 | 1 | 0 |
| emodin | Homo sapiens (human) | IC50 | 7.9900 | 2 | 2 |
| ethoxyresorufin | Homo sapiens (human) | IC50 | 0.5000 | 2 | 2 |
| furafylline | Homo sapiens (human) | IC50 | 2.5292 | 13 | 13 |
| furafylline | Homo sapiens (human) | Ki | 31.3333 | 3 | 3 |
| hexachlorophene | Homo sapiens (human) | IC50 | 1.3133 | 1 | 0 |
| miltefosine | Homo sapiens (human) | IC50 | 100.0000 | 1 | 1 |
| isoniazid | Homo sapiens (human) | Ki | 56.0000 | 1 | 1 |
| khellin | Homo sapiens (human) | IC50 | 0.0400 | 1 | 1 |
| khellin | Homo sapiens (human) | Ki | 0.0310 | 1 | 1 |
| leflunomide | Homo sapiens (human) | IC50 | 0.5000 | 1 | 0 |
| 2-(4-morpholinyl)-8-phenyl-4h-1-benzopyran-4-one | Homo sapiens (human) | IC50 | 1.0000 | 1 | 0 |
| methoxsalen | Homo sapiens (human) | IC50 | 0.0400 | 1 | 0 |
| metyrapone | Homo sapiens (human) | IC50 | 4.8000 | 2 | 2 |
| miconazole | Homo sapiens (human) | IC50 | 4.5500 | 1 | 1 |
| nabumetone | Homo sapiens (human) | IC50 | 5.0000 | 1 | 0 |
| nifedipine | Homo sapiens (human) | IC50 | 0.3000 | 1 | 0 |
| nisoldipine | Homo sapiens (human) | IC50 | 1.0000 | 1 | 0 |
| nisoxetine | Homo sapiens (human) | IC50 | 0.0079 | 1 | 1 |
| pentamidine | Homo sapiens (human) | IC50 | 75.0000 | 3 | 3 |
| phenacetin | Homo sapiens (human) | IC50 | 0.0286 | 2 | 2 |
| primaquine | Homo sapiens (human) | IC50 | 0.1824 | 1 | 0 |
| prochlorperazine | Homo sapiens (human) | IC50 | 2.0000 | 1 | 0 |
| propafenone | Homo sapiens (human) | IC50 | 3.2920 | 1 | 0 |
| propranolol | Homo sapiens (human) | IC50 | 7.0000 | 2 | 1 |
| riluzole | Homo sapiens (human) | IC50 | 10.0000 | 1 | 1 |
| safrole | Homo sapiens (human) | IC50 | 10.0000 | 1 | 0 |
| sb 206553 | Homo sapiens (human) | IC50 | 0.0500 | 1 | 1 |
| sulconazole | Homo sapiens (human) | IC50 | 0.6000 | 1 | 0 |
| thiabendazole | Homo sapiens (human) | IC50 | 0.8000 | 1 | 0 |
| thioridazine | Homo sapiens (human) | IC50 | 9.3323 | 1 | 0 |
| 1,4-phenylenebis(methylene)selenocyanate | Homo sapiens (human) | IC50 | 0.2000 | 1 | 1 |
| 2-acetylaminofluorene | Homo sapiens (human) | IC50 | 0.0160 | 1 | 0 |
| benzoxazolone | Homo sapiens (human) | IC50 | 370.0000 | 1 | 1 |
| 1-methylnaphthalene | Homo sapiens (human) | IC50 | 110.0000 | 1 | 1 |
| 1-chloronaphthalene | Homo sapiens (human) | IC50 | 50.0000 | 1 | 1 |
| 1-naphthol | Homo sapiens (human) | IC50 | 3.2000 | 1 | 1 |
| 2-methylnaphthalene | Homo sapiens (human) | IC50 | 120.0000 | 1 | 1 |
| 2-methylquinoline | Homo sapiens (human) | IC50 | 40.0000 | 1 | 1 |
| diphenyl | Homo sapiens (human) | IC50 | 160.0000 | 1 | 1 |
| phenothiazine | Homo sapiens (human) | IC50 | 0.0160 | 1 | 0 |
| 2-methoxynaphthalene | Homo sapiens (human) | IC50 | 13.0000 | 1 | 1 |
| phenylhydrazine | Homo sapiens (human) | IC50 | 8.0000 | 1 | 0 |
| n-butylbenzene | Homo sapiens (human) | IC50 | 3,700.0000 | 1 | 1 |
| xi-gamma-Undecalactone | Homo sapiens (human) | IC50 | 45.0000 | 1 | 1 |
| gamma-valerolactone | Homo sapiens (human) | IC50 | 15,000.0000 | 1 | 1 |
| 2-naphthol | Homo sapiens (human) | IC50 | 17.0000 | 1 | 1 |
| benzo(e)pyrene | Homo sapiens (human) | IC50 | 0.1000 | 1 | 0 |
| naphthazarin | Homo sapiens (human) | IC50 | 2.1600 | 1 | 1 |
| naphthazarin | Homo sapiens (human) | Ki | 2.2200 | 1 | 1 |
| plumbagin | Homo sapiens (human) | IC50 | 2.4600 | 1 | 1 |
| plumbagin | Homo sapiens (human) | Ki | 2.3600 | 1 | 1 |
| indan | Homo sapiens (human) | IC50 | 550.0000 | 1 | 1 |
| coumaran | Homo sapiens (human) | IC50 | 1,200.0000 | 1 | 1 |
| caprolactone | Homo sapiens (human) | IC50 | 40,000.0000 | 1 | 1 |
| 1-naphthylisothiocyanate | Homo sapiens (human) | IC50 | 1.0000 | 1 | 0 |
| 1,4-dimethylnaphthalene | Homo sapiens (human) | IC50 | 3.6000 | 1 | 1 |
| 1,2-dimethylnaphthalene | Homo sapiens (human) | IC50 | 5.5000 | 1 | 1 |
| 1,6-dimethylnaphthalene | Homo sapiens (human) | IC50 | 25.0000 | 1 | 1 |
| 2,6-dimethylnaphthalene | Homo sapiens (human) | IC50 | 52.0000 | 1 | 1 |
| 2,2-dimethylbutyric acid | Homo sapiens (human) | IC50 | 10,000.0000 | 2 | 2 |
| alpha-naphthoflavone | Homo sapiens (human) | IC50 | 2.1195 | 38 | 37 |
| alpha-naphthoflavone | Homo sapiens (human) | Ki | 0.0200 | 1 | 1 |
| 3-methylquinoline | Homo sapiens (human) | IC50 | 13.0000 | 1 | 1 |
| 3-hydroxyacetanilide | Homo sapiens (human) | IC50 | 2.0000 | 1 | 0 |
| 4-hexanolide | Homo sapiens (human) | IC50 | 9,900.0000 | 1 | 1 |
| decan-4-olide | Homo sapiens (human) | IC50 | 110.0000 | 1 | 1 |
| 2,6-dimethylquinoline | Homo sapiens (human) | IC50 | 3.3000 | 1 | 1 |
| tribromsalan | Homo sapiens (human) | IC50 | 2.0000 | 1 | 0 |
| 2-amino-6-methoxybenzothiazole | Homo sapiens (human) | IC50 | 10.0000 | 1 | 1 |
| 4-chlorobiphenyl | Homo sapiens (human) | IC50 | 49.0000 | 1 | 1 |
| gamma-dodecalactone | Homo sapiens (human) | IC50 | 58.0000 | 1 | 1 |
| tranylcypromine | Homo sapiens (human) | IC50 | 13.1000 | 2 | 2 |
| danazol | Homo sapiens (human) | IC50 | 0.0190 | 1 | 1 |
| 4-anisaldehyde | Homo sapiens (human) | IC50 | 270.0000 | 1 | 1 |
| pyrene | Homo sapiens (human) | IC50 | 0.0070 | 1 | 1 |
| benzonidazole | Homo sapiens (human) | IC50 | 100.0000 | 1 | 1 |
| oltipraz | Homo sapiens (human) | Ki | 9.0000 | 1 | 1 |
| zileuton | Homo sapiens (human) | Ki | 117.0000 | 1 | 1 |
| liarozole | Homo sapiens (human) | IC50 | 0.5400 | 1 | 1 |
| tenidap | Homo sapiens (human) | IC50 | 1.0000 | 1 | 0 |
| duloxetine | Homo sapiens (human) | IC50 | 5.3000 | 2 | 2 |
| 4,5'-dimethylangelicin | Homo sapiens (human) | Ki | 1.1500 | 1 | 1 |
| proadifen hydrochloride | Homo sapiens (human) | IC50 | 19.0000 | 1 | 1 |
| rutecarpine | Homo sapiens (human) | IC50 | 0.0220 | 1 | 1 |
| pinocembrin | Homo sapiens (human) | IC50 | 1.4910 | 1 | 1 |
| isopimpinellin | Homo sapiens (human) | IC50 | 0.0400 | 1 | 1 |
| isopimpinellin | Homo sapiens (human) | Ki | 0.0280 | 1 | 1 |
| 5-hydroxyflavone | Homo sapiens (human) | IC50 | 0.3100 | 1 | 1 |
| 2(3h)-benzofuranone | Homo sapiens (human) | IC50 | 260.0000 | 1 | 1 |
| pirlindole | Homo sapiens (human) | IC50 | 36.0000 | 1 | 1 |
| avarol | Homo sapiens (human) | IC50 | 12.0000 | 1 | 1 |
| hesperetin | Homo sapiens (human) | IC50 | 34.6470 | 1 | 1 |
| eperezolid | Homo sapiens (human) | IC50 | 20.0000 | 1 | 1 |
| homoeriodictyol | Homo sapiens (human) | IC50 | 20.8840 | 2 | 2 |
| 1-benzylimidazole | Homo sapiens (human) | IC50 | 0.2000 | 1 | 0 |
| bexarotene | Homo sapiens (human) | Ki | 0.3790 | 1 | 1 |
| nicotine | Homo sapiens (human) | IC50 | 4,100.0000 | 1 | 1 |
| 6-paradol | Homo sapiens (human) | IC50 | 21.4000 | 1 | 1 |
| phellopterin | Homo sapiens (human) | IC50 | 0.4200 | 1 | 1 |
| phellopterin | Homo sapiens (human) | Ki | 0.3800 | 1 | 1 |
| benzyl selenocyanate | Homo sapiens (human) | IC50 | 0.2000 | 1 | 1 |
| sch 28080 | Homo sapiens (human) | IC50 | 2.0000 | 1 | 1 |
| mosapride | Homo sapiens (human) | IC50 | 0.4000 | 1 | 0 |
| desethylamodiaquine | Homo sapiens (human) | IC50 | 28.0000 | 2 | 2 |
| gefitinib | Homo sapiens (human) | IC50 | 0.1510 | 1 | 1 |
| 16-fluoro-5-androsten-17-one | Homo sapiens (human) | IC50 | 0.5000 | 1 | 1 |
| chs 828 | Homo sapiens (human) | IC50 | 0.0010 | 1 | 1 |
| tariquidar | Homo sapiens (human) | IC50 | 27.2000 | 1 | 1 |
| 5-hydroxy-3',4',6,7-tetramethoxyflavone | Homo sapiens (human) | IC50 | 0.9000 | 1 | 1 |
| 5-hydroxy-3',4',6,7-tetramethoxyflavone | Homo sapiens (human) | Ki | 0.7800 | 1 | 1 |
| 3'-deoxycytidine 5'-triphosphate | Homo sapiens (human) | IC50 | 500.0000 | 1 | 1 |
| pumosetrag | Homo sapiens (human) | IC50 | 10.0000 | 1 | 1 |
| alpha-amino-3-hydroxy-5-methyl-4-isoxazolepropionic acid | Homo sapiens (human) | Ki | 0.0220 | 1 | 1 |
| isosakuranetin | Homo sapiens (human) | IC50 | 3.1470 | 1 | 1 |
| anidulafungin | Homo sapiens (human) | IC50 | 17.5000 | 1 | 1 |
| 8-gingerol | Homo sapiens (human) | IC50 | 8.7000 | 1 | 1 |
| 10-gingerol | Homo sapiens (human) | IC50 | 20.8000 | 1 | 1 |
| sb 203580 | Homo sapiens (human) | IC50 | 2.0000 | 1 | 0 |
| etravirine | Homo sapiens (human) | IC50 | 0.0250 | 1 | 1 |
| sr 142806 | Homo sapiens (human) | IC50 | 100.0000 | 1 | 1 |
| nsc 36398 | Homo sapiens (human) | Ki | 100.0000 | 1 | 1 |
| 2-chlorobiphenyl | Homo sapiens (human) | IC50 | 230.0000 | 1 | 1 |
| ritonavir | Homo sapiens (human) | IC50 | 25.0000 | 1 | 1 |
| naringenin | Homo sapiens (human) | IC50 | 26.3390 | 1 | 1 |
| eriodictyol | Homo sapiens (human) | IC50 | 53.2140 | 1 | 1 |
| linezolid | Homo sapiens (human) | IC50 | 20.0000 | 2 | 2 |
| gingerol | Homo sapiens (human) | IC50 | 21.8000 | 1 | 1 |
| sb 221284 | Homo sapiens (human) | IC50 | 0.0130 | 2 | 2 |
| sb 228357 | Homo sapiens (human) | IC50 | 28.0000 | 1 | 1 |
| sb 243213 | Homo sapiens (human) | IC50 | 100.0000 | 1 | 1 |
| trichostatin a | Homo sapiens (human) | IC50 | 0.0200 | 2 | 2 |
| resveratrol | Homo sapiens (human) | IC50 | 3.0000 | 1 | 0 |
| docosahexaenoate | Homo sapiens (human) | Ki | 6.2920 | 1 | 1 |
| om99-2 | Homo sapiens (human) | IC50 | 30.0000 | 1 | 1 |
| eicosapentaenoic acid | Homo sapiens (human) | Ki | 7.6320 | 1 | 1 |
| alitretinoin | Homo sapiens (human) | Ki | 0.5830 | 1 | 1 |
| pd 146626 | Homo sapiens (human) | IC50 | 0.0825 | 1 | 1 |
| 6,8-diprenylgenistein | Homo sapiens (human) | IC50 | 65.0000 | 1 | 1 |
| abt 492 | Homo sapiens (human) | IC50 | 50.0000 | 1 | 1 |
| bay 57-1293 | Homo sapiens (human) | Ki | 0.2193 | 3 | 11 |
| 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 | 1,850.9900 | 1 | 2 |
| cannabidiol | Homo sapiens (human) | Ki | 2.6900 | 1 | 1 |
| pongamol | Homo sapiens (human) | IC50 | 3.1600 | 1 | 1 |
| pongamol | Homo sapiens (human) | Ki | 3.8600 | 1 | 1 |
| cid755673 | Homo sapiens (human) | IC50 | 0.1820 | 1 | 1 |
| cotinine | Homo sapiens (human) | IC50 | 5,400.0000 | 1 | 1 |
| capsaicin | Homo sapiens (human) | IC50 | 3.0000 | 1 | 0 |
| n-hydroxy-n'-(4-butyl-2-methylphenyl)formamidine | Homo sapiens (human) | IC50 | 0.4610 | 1 | 1 |
| lch-7749944 | Homo sapiens (human) | IC50 | 48.4000 | 1 | 1 |
| maraviroc | Homo sapiens (human) | IC50 | 25.0000 | 1 | 1 |
| telaprevir | Homo sapiens (human) | Ki | 6.1000 | 1 | 1 |
| vx-745 | Homo sapiens (human) | IC50 | 40.0000 | 1 | 1 |
| dasatinib | Homo sapiens (human) | IC50 | 50.0000 | 1 | 0 |
| uccf-029 | Homo sapiens (human) | IC50 | 0.0364 | 1 | 1 |
| sb 242084 | Homo sapiens (human) | IC50 | 100.0000 | 2 | 2 |
| bw 723c86 | Homo sapiens (human) | IC50 | 0.8738 | 1 | 0 |
| quercetin | Homo sapiens (human) | IC50 | 14.6990 | 3 | 3 |
| acacetin | Homo sapiens (human) | IC50 | 0.1655 | 2 | 2 |
| apigenin | Homo sapiens (human) | IC50 | 0.7950 | 1 | 1 |
| luteolin | Homo sapiens (human) | IC50 | 3.3700 | 1 | 1 |
| chrysoeriol | Homo sapiens (human) | IC50 | 1.1180 | 1 | 1 |
| kaempferol | Homo sapiens (human) | IC50 | 0.7160 | 1 | 1 |
| amphotericin b | Homo sapiens (human) | IC50 | 100.0000 | 1 | 1 |
| chrysin | Homo sapiens (human) | IC50 | 0.2360 | 3 | 3 |
| chrysin | Homo sapiens (human) | Ki | 0.5000 | 1 | 1 |
| diosmetin | Homo sapiens (human) | IC50 | 2.4370 | 1 | 1 |
| galangin | Homo sapiens (human) | IC50 | 0.0400 | 1 | 1 |
| 3-methylquercetin | Homo sapiens (human) | IC50 | 1.2610 | 1 | 1 |
| kaempferide | Homo sapiens (human) | IC50 | 1.7545 | 2 | 2 |
| tamarixetin | Homo sapiens (human) | IC50 | 1.2150 | 1 | 1 |
| trans-2,3',4,5'-tetrahydroxystilbene | Homo sapiens (human) | IC50 | 150.0000 | 1 | 1 |
| 7-hydroxyflavone | Homo sapiens (human) | IC50 | 0.2400 | 1 | 1 |
| cyclosporine | Homo sapiens (human) | IC50 | 100.0000 | 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 | 5.0000 | 1 | 1 |
| palbociclib | Homo sapiens (human) | Ki | 5.0000 | 1 | 1 |
| sulindac sulfide | Homo sapiens (human) | IC50 | 2.0000 | 1 | 0 |
| 2,4,3',5'-tetramethoxystilbene | Homo sapiens (human) | IC50 | 3.0667 | 3 | 3 |
| 3,3',4,5'-tetramethoxy-trans-stilbene | Homo sapiens (human) | IC50 | 570.0000 | 1 | 1 |
| 3,4',5-trimethoxystilbene | Homo sapiens (human) | IC50 | 6.2000 | 1 | 1 |
| bedaquiline | Homo sapiens (human) | IC50 | 10.0000 | 1 | 1 |
| 2,5-bis(4-hydroxy-3-methoxybenzylidene)cyclopentanone | Homo sapiens (human) | IC50 | 19,471.7000 | 1 | 2 |
| bms 806 | Homo sapiens (human) | IC50 | 40.0000 | 1 | 1 |
| mdl 73811 | Homo sapiens (human) | IC50 | 5.0000 | 1 | 1 |
| rilpivirine | Homo sapiens (human) | IC50 | 6.1612 | 6 | 6 |
| hylin | Homo sapiens (human) | IC50 | 20,768.4500 | 1 | 2 |
| scy-635 | Homo sapiens (human) | IC50 | 100.0000 | 1 | 1 |
| opc-67683 | Homo sapiens (human) | IC50 | 100.0000 | 1 | 1 |
| ispinesib | Homo sapiens (human) | IC50 | 25.0000 | 1 | 1 |
| fk 866 | Homo sapiens (human) | IC50 | 0.0010 | 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 | 0.0110 | 1 | 2 |
| n-(4-methylthiazol-2-yl)-2-(6-phenylpyridazin-3-ylthio)acetamide | Homo sapiens (human) | IC50 | 0.5680 | 1 | 1 |
| dov 216303 | Homo sapiens (human) | IC50 | 0.8000 | 1 | 1 |
| orteronel | Homo sapiens (human) | IC50 | 28.0000 | 1 | 1 |
| gw 803430 | Homo sapiens (human) | IC50 | 10,000.0000 | 1 | 1 |
| pd 0325901 | Homo sapiens (human) | IC50 | 0.0150 | 1 | 1 |
| biln 2061 | Homo sapiens (human) | Ki | 0.1200 | 1 | 1 |
| pi103 | Homo sapiens (human) | IC50 | 0.0120 | 1 | 2 |
| dirlotapide | Homo sapiens (human) | IC50 | 30.0000 | 1 | 1 |
| linaprazan | Homo sapiens (human) | IC50 | 75.0000 | 2 | 2 |
| pimavanserin | Homo sapiens (human) | IC50 | 52.0000 | 1 | 1 |
| linagliptin | Homo sapiens (human) | IC50 | 0.3000 | 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 | 168.5714 | 2 | 7 |
| bibw 2992 | Homo sapiens (human) | IC50 | 0.0370 | 1 | 1 |
| 6-(3-hydroxyphenyl)-2-naphthol | Homo sapiens (human) | IC50 | 3.9900 | 1 | 1 |
| gpi 5693 | Homo sapiens (human) | IC50 | 0.0900 | 1 | 1 |
| gw 842166x | Homo sapiens (human) | IC50 | 100.0000 | 1 | 1 |
| gsk 369796 | Homo sapiens (human) | IC50 | 29.0000 | 1 | 1 |
| ps 540446 | Homo sapiens (human) | IC50 | 40.0000 | 1 | 1 |
| sb-435495 | Homo sapiens (human) | IC50 | 100.0000 | 1 | 1 |
| bms 599626 | Homo sapiens (human) | IC50 | 40.0000 | 1 | 1 |
| brivanib | Homo sapiens (human) | IC50 | 40.0000 | 1 | 1 |
| 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 | 10.0000 | 1 | 1 |
| azd 8931 | Homo sapiens (human) | IC50 | 10.0000 | 1 | 1 |
| gosogliptin | Homo sapiens (human) | IC50 | 30.0000 | 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 |
| mk-0893 | Homo sapiens (human) | IC50 | 12.8000 | 1 | 1 |
| gw9508 | Homo sapiens (human) | IC50 | 33.0000 | 1 | 1 |
| gw 2580 | Homo sapiens (human) | IC50 | 0.0030 | 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 |
| jnj 28312141 | Homo sapiens (human) | IC50 | 10.0000 | 1 | 1 |
| omecamtiv mecarbil | Homo sapiens (human) | IC50 | 10.0000 | 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 |
| gsk188909 | Homo sapiens (human) | IC50 | 100.0000 | 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 | 100.0000 | 1 | 1 |
| amodiaquine hydrochloride | Homo sapiens (human) | IC50 | 15.0000 | 2 | 2 |
| mf63 compound | Homo sapiens (human) | IC50 | 0.0019 | 1 | 1 |
| tannins | Homo sapiens (human) | IC50 | 0.9190 | 1 | 0 |
| cct129202 | Homo sapiens (human) | IC50 | 10.0000 | 1 | 1 |
| vx-770 | Homo sapiens (human) | IC50 | 20.0000 | 1 | 1 |
| pamapimod | Homo sapiens (human) | IC50 | 29.0000 | 1 | 1 |
| buparlisib | Homo sapiens (human) | IC50 | 0.0110 | 1 | 1 |
| bms 687453 | Homo sapiens (human) | IC50 | 40.0000 | 1 | 1 |
| gsk 1004723 | Homo sapiens (human) | IC50 | 3.0000 | 1 | 1 |
| cct 128930 | Homo sapiens (human) | IC50 | 30.0000 | 2 | 2 |
| lu aa33810 | Homo sapiens (human) | IC50 | 10.0000 | 1 | 1 |
| fevipiprant | Homo sapiens (human) | IC50 | 100.0000 | 1 | 1 |
| azd3988 | Homo sapiens (human) | IC50 | 30.0000 | 1 | 1 |
| azd1283 | Homo sapiens (human) | IC50 | 3.3000 | 1 | 1 |
| gsk1482160 | Homo sapiens (human) | IC50 | 0.1000 | 1 | 1 |
| serlopitant | Homo sapiens (human) | IC50 | 100.0000 | 1 | 1 |
| olaparib | Homo sapiens (human) | IC50 | 0.0200 | 1 | 1 |
| gdc 0449 | Homo sapiens (human) | IC50 | 20.0000 | 1 | 1 |
| bms 754807 | Homo sapiens (human) | IC50 | 40.0000 | 1 | 1 |
| pci 32765 | Homo sapiens (human) | IC50 | 50.0095 | 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 |
| incb-018424 | Homo sapiens (human) | IC50 | 0.0001 | 1 | 1 |
| cobicistat | Homo sapiens (human) | IC50 | 25.0000 | 1 | 1 |
| bms-790052 | Homo sapiens (human) | IC50 | 100.0000 | 3 | 3 |
| glasdegib | Homo sapiens (human) | IC50 | 30.0000 | 1 | 1 |
| gsk 2126458 | Homo sapiens (human) | IC50 | 0.0012 | 1 | 2 |
| azd7687 | Homo sapiens (human) | IC50 | 30.0000 | 1 | 1 |
| GDC-0623 | Homo sapiens (human) | IC50 | 10.0000 | 1 | 1 |
| osilodrostat | Homo sapiens (human) | IC50 | 0.0002 | 1 | 1 |
| e-52862 | Homo sapiens (human) | IC50 | 10.0000 | 1 | 2 |
| pki 587 | Homo sapiens (human) | IC50 | 50.0000 | 1 | 1 |
| bi 653048 bs h3po4 | Homo sapiens (human) | IC50 | 50.0000 | 1 | 1 |
| bms 694153 | Homo sapiens (human) | IC50 | 40.0000 | 1 | 1 |
| kb-nb142-70 | Homo sapiens (human) | IC50 | 0.0283 | 1 | 1 |
| sofosbuvir | Homo sapiens (human) | IC50 | 100.0000 | 1 | 1 |
| (3R)-4-[2-(1H-indol-4-yl)-6-(1-methylsulfonylcyclopropyl)-4-pyrimidinyl]-3-methylmorpholine | Homo sapiens (human) | IC50 | 10.0000 | 1 | 1 |
| jq1 compound | Homo sapiens (human) | IC50 | 0.8200 | 1 | 1 |
| gsk525762a | Homo sapiens (human) | IC50 | 33.0000 | 1 | 1 |
| glpg0634 | Homo sapiens (human) | IC50 | 67.8000 | 2 | 2 |
| kaf156 | Homo sapiens (human) | IC50 | 6.0000 | 2 | 2 |
| bms-911543 | Homo sapiens (human) | IC50 | 5.6000 | 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 | 30.0000 | 1 | 1 |
| lesinurad | Homo sapiens (human) | IC50 | 26.1667 | 1 | 3 |
| raltegravir | Homo sapiens (human) | IC50 | 50.0000 | 1 | 1 |
| pf 00868554 | Homo sapiens (human) | IC50 | 30.0000 | 1 | 1 |
| dolutegravir | Homo sapiens (human) | IC50 | 90.0000 | 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 |
| gs-9973 | Homo sapiens (human) | IC50 | 10.0000 | 1 | 1 |
| trv130 | Homo sapiens (human) | IC50 | 50.0000 | 1 | 1 |
| gne-618 | Homo sapiens (human) | IC50 | 0.0040 | 1 | 1 |
| g007-lk | Homo sapiens (human) | IC50 | 0.0045 | 1 | 1 |
| gne-617 | Homo sapiens (human) | IC50 | 0.0020 | 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 |
| vu0467154 | Homo sapiens (human) | IC50 | 30.0000 | 1 | 1 |
| onc201 | Homo sapiens (human) | IC50 | 10.0000 | 1 | 1 |
| azd3759 | Homo sapiens (human) | IC50 | 0.0500 | 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 | 1.2589 | 1 | 1 |
| at 9283 | Homo sapiens (human) | IC50 | 10.0000 | 1 | 1 |
| 2-[(4-chlorophenyl)methylthio]-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one | Homo sapiens (human) | IC50 | 8.6000 | 1 | 1 |
| bms 536924 | Homo sapiens (human) | IC50 | 34.0000 | 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 | 6.9000 | 1 | 1 |
| amg 221 | Homo sapiens (human) | IC50 | 15.0000 | 1 | 1 |
| as1940477 | Homo sapiens (human) | IC50 | 50.0000 | 1 | 1 |
Drugs with Activation Measurements
Drugs with Other Measurements
Cytochrome P450 binding studies of novel tacrine derivatives: Predicting the risk of hepatotoxicity.Bioorganic & medicinal chemistry letters, , 06-01, Volume: 27, Issue:11, 2017
Synthesis, biological activity and molecular modeling studies on 1H-benzimidazole derivatives as acetylcholinesterase inhibitors.Bioorganic & medicinal chemistry, , Sep-01, Volume: 21, Issue:17, 2013
Cytochrome p450 enzymes mechanism based inhibitors: common sub-structures and reactivity.Current drug metabolism, , Volume: 6, Issue:5, 2005
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
Pyranoflavones: a group of small-molecule probes for exploring the active site cavities of cytochrome P450 enzymes 1A1, 1A2, and 1B1.Journal of medicinal chemistry, , May-23, Volume: 56, Issue:10, 2013
Exploration of the amine terminus in a novel series of 1,2,4-triazolo-3-yl-azabicyclo[3.1.0]hexanes as selective dopamine D3 receptor antagonists.Journal of medicinal chemistry, , Oct-14, Volume: 53, Issue:19, 2010
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
Development of Robust 17(Journal of medicinal chemistry, , 11-27, Volume: 62, Issue:22, 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
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
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
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
A Ligand-Based Drug Design. Discovery of 4-Trifluoromethyl-7,8-pyranocoumarin as a Selective Inhibitor of Human Cytochrome P450 1A2.Journal of medicinal chemistry, , Aug-27, Volume: 58, Issue:16, 2015
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
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 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
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
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
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
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
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
Cytochrome p450 enzymes mechanism based inhibitors: common sub-structures and reactivity.Current drug metabolism, , Volume: 6, Issue:5, 2005
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]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
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
[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
Structure-Based Discovery of Novel NHJournal of medicinal chemistry, , 06-23, Volume: 65, Issue:12, 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
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
Discovery of heterocycle-containing α-naphthoflavone derivatives as water-soluble, highly potent and selective CYP1B1 inhibitors.European journal of medicinal chemistry, , Jan-01, Volume: 209, 2021
Identification of C5-NHJournal of medicinal chemistry, , 12-23, Volume: 64, Issue:24, 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
Design and synthesis of α-naphthoflavone chimera derivatives able to eliminate cytochrome P450 (CYP)1B1-mediated drug resistance via targeted CYP1B1 degradation.European journal of medicinal chemistry, , Mar-01, Volume: 189, 2020
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
Synthesis and structure-activity relationship studies of α-naphthoflavone derivatives as CYP1B1 inhibitors.European journal of medicinal chemistry, , Feb-01, Volume: 187, 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
Development of benzochalcone derivatives as selective CYP1B1 inhibitors and anticancer agents.MedChemComm, , Sep-01, Volume: 10, Issue:9, 2019
Design and synthesis of selective CYP1B1 inhibitor via dearomatization of α-naphthoflavone.Bioorganic & medicinal chemistry, , 01-15, Volume: 27, Issue:2, 2019
Adaptable Small Ligand of CYP1 Enzymes for Use in Understanding the Structural Features Determining Isoform Selectivity.ACS medicinal chemistry letters, , Dec-13, Volume: 9, Issue:12, 2018
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
Cytochrome P450 binding studies of novel tacrine derivatives: Predicting the risk of hepatotoxicity.Bioorganic & medicinal chemistry letters, , 06-01, Volume: 27, Issue:11, 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
Inhibitors of cytochrome P450 (CYP) 1B1.European journal of medicinal chemistry, , Jul-28, Volume: 135, 2017
Discovery and characterization of novel CYP1B1 inhibitors based on heterocyclic chalcones: Overcoming cisplatin resistance in CYP1B1-overexpressing lines.European journal of medicinal chemistry, , Mar-31, Volume: 129, 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
Design and Synthesis of New α-Naphthoflavones as Cytochrome P450 (CYP) 1B1 Inhibitors To Overcome Docetaxel-Resistance Associated with CYP1B1 Overexpression.Journal of medicinal chemistry, , Apr-23, Volume: 58, Issue:8, 2015
A Ligand-Based Drug Design. Discovery of 4-Trifluoromethyl-7,8-pyranocoumarin as a Selective Inhibitor of Human Cytochrome P450 1A2.Journal of medicinal chemistry, , Aug-27, Volume: 58, Issue:16, 2015
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
Pyranoflavones: a group of small-molecule probes for exploring the active site cavities of cytochrome P450 enzymes 1A1, 1A2, and 1B1.Journal of medicinal chemistry, , May-23, Volume: 56, Issue:10, 2013
Isoform-selective inhibition of chrysin towards human cytochrome P450 1A2. Kinetics analysis, molecular docking, and molecular dynamics simulations.Bioorganic & medicinal chemistry letters, , Oct-15, Volume: 20, Issue:20, 2010
Targeting cytochrome P450 enzymes: a new approach in anti-cancer drug development.Bioorganic & medicinal chemistry, , Aug-01, Volume: 15, Issue:15, 2007
[no title available],
Development of Robust 17(Journal of medicinal chemistry, , 11-27, Volume: 62, Issue:22, 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
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
Selective inhibition of methoxyflavonoids on human CYP1B1 activity.Bioorganic & medicinal chemistry, , Sep-01, Volume: 18, Issue:17, 2010
Targeting cytochrome P450 enzymes: a new approach in anti-cancer drug development.Bioorganic & medicinal chemistry, , Aug-01, Volume: 15, Issue:15, 2007
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
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
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
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
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]Bioorganic & medicinal chemistry letters, , 12-15, Volume: 27, Issue:24, 2017
Selective inhibition of methoxyflavonoids on human CYP1B1 activity.Bioorganic & medicinal chemistry, , Sep-01, Volume: 18, Issue:17, 2010
Selective inhibition of methoxyflavonoids on human CYP1B1 activity.Bioorganic & medicinal chemistry, , Sep-01, Volume: 18, Issue:17, 2010
Targeting cytochrome P450 enzymes: a new approach in anti-cancer drug development.Bioorganic & medicinal chemistry, , Aug-01, Volume: 15, Issue:15, 2007
Inhibitors of cytochrome P450 (CYP) 1B1.European journal of medicinal chemistry, , Jul-28, Volume: 135, 2017
Pyranoflavones: a group of small-molecule probes for exploring the active site cavities of cytochrome P450 enzymes 1A1, 1A2, and 1B1.Journal of medicinal chemistry, , May-23, Volume: 56, Issue:10, 2013
Isoform-selective inhibition of chrysin towards human cytochrome P450 1A2. Kinetics analysis, molecular docking, and molecular dynamics simulations.Bioorganic & medicinal chemistry letters, , Oct-15, Volume: 20, Issue:20, 2010
Selective inhibition of methoxyflavonoids on human CYP1B1 activity.Bioorganic & medicinal chemistry, , Sep-01, Volume: 18, Issue:17, 2010
Selective inhibition of methoxyflavonoids on human CYP1B1 activity.Bioorganic & medicinal chemistry, , Sep-01, Volume: 18, Issue:17, 2010
Targeting cytochrome P450 enzymes: a new approach in anti-cancer drug development.Bioorganic & medicinal chemistry, , Aug-01, Volume: 15, Issue:15, 2007
Adaptable Small Ligand of CYP1 Enzymes for Use in Understanding the Structural Features Determining Isoform Selectivity.ACS medicinal chemistry letters, , Dec-13, Volume: 9, Issue:12, 2018
Inhibitors of cytochrome P450 (CYP) 1B1.European journal of medicinal chemistry, , Jul-28, Volume: 135, 2017
Design, synthesis, and discovery of novel trans-stilbene analogues as potent and selective human cytochrome P450 1B1 inhibitors.Journal of medicinal chemistry, , Jan-03, Volume: 45, Issue:1, 2002
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
[no title available]European journal of medicinal chemistry, , Oct-05, Volume: 240, 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 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 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
Identification of the oxidative and conjugative enzymes involved in the biotransformation of brivanib.Drug metabolism and disposition: the biological fate of chemicals, , Volume: 40, Issue:1, 2012
Discovery of brivanib alaninate ((S)-((R)-1-(4-(4-fluoro-2-methyl-1H-indol-5-yloxy)-5-methylpyrrolo[2,1-f][1,2,4]triazin-6-yloxy)propan-2-yl)2-aminopropanoate), a novel prodrug of dual vascular endothelial growth factor receptor-2 and fibroblast growth faJournal of medicinal chemistry, , Mar-27, Volume: 51, Issue:6, 2008
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
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
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
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
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
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 (R)-6-cyclopentyl-6-(2-(2,6-diethylpyridin-4-yl)ethyl)-3-((5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl)-4-hydroxy-5,6-dihydropyran-2-one (PF-00868554) as a potent and orally available hepatitis C virus polymerase inhibitor.Journal of medicinal chemistry, , Mar-12, Volume: 52, Issue:5, 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
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 14 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] |
| protein binding | molecular function | Binding to a protein. [GOC:go_curators] |
| electron transfer activity | molecular function | A molecular function representing the directed movement of electrons from one molecular entity to another, typically mediated by electron carriers or acceptors, resulting in the transfer of energy and/or the reduction-oxidation (redox) transformation of chemical species. This activity is fundamental to various biological processes, including cellular respiration and photosynthesis, as well as numerous enzymatic reactions involved in metabolic pathways. [Wikipedia:Electron_transfer] |
| 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] |
| enzyme binding | molecular function | Binding to an enzyme, a protein with catalytic activity. [GOC:jl] |
| heme binding | molecular function | Binding to a heme, a compound composed of iron complexed in a porphyrin (tetrapyrrole) ring. [GOC:ai] |
| demethylase activity | molecular function | Catalysis of the removal of a methyl group from a substrate. [GOC:mah] |
| caffeine oxidase activity | molecular function | Catalysis of the reaction: caffeine + O2 + 2 H+ + 2 e- = 1,3,7-trimethyluric acid + H2O. [RHEA:47148] |
| aromatase activity | molecular function | Catalysis of the reduction of an aliphatic ring to yield an aromatic ring. [GOC:cb] |
| estrogen 16-alpha-hydroxylase activity | molecular function | Catalysis of the reaction: estrogen + donor-H2 + O2 = 16-alpha-hydroxyestrogen + H2O. [GOC:BHF] |
| estrogen 2-hydroxylase activity | molecular function | Catalysis of the reaction: estrogen + donor-H2 + O2 = 2-hydroxyestrogen + H2O. [GOC:BHF, GOC:rl, PMID:14559847] |
| hydroperoxy icosatetraenoate dehydratase activity | molecular function | A hydroperoxy icosatetraenoate = an oxoicosatetraenoate + H2O. [PMID:12881489, RHEA:55556] |
Located In
This protein is located in 2 target(s):
| Target | Category | Definition |
|---|
| endoplasmic reticulum membrane | cellular component | The lipid bilayer surrounding the endoplasmic reticulum. [GOC:mah] |
| 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] |
Active In
This protein is active in 1 target(s):
| Target | Category | Definition |
|---|
| 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 24 target(s):
| Target | Category | Definition |
|---|
| steroid catabolic process | biological process | The chemical reactions and pathways resulting in the breakdown of steroids, compounds with a 1,2,cyclopentanoperhydrophenanthrene nucleus. [GOC:go_curators] |
| porphyrin-containing compound metabolic process | biological process | The chemical reactions and pathways involving any member of a large group of derivatives or analogs of porphyrin. Porphyrins consists of a ring of four pyrrole nuclei linked each to the next at their alpha positions through a methine group. [GOC:jl, ISBN:0198506732, Wikipedia:Porphyrin#Natural_formation] |
| 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] |
| 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] |
| toxin biosynthetic process | biological process | The chemical reactions and pathways resulting in the formation of toxin, a poisonous compound (typically a protein) that is produced by cells or organisms and that can cause disease when introduced into the body or tissues of an organism. [GOC:go_curators] |
| post-embryonic development | biological process | The process whose specific outcome is the progression of the organism over time, from the completion of embryonic development to the mature structure. See embryonic development. [GOC:go_curators] |
| 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] |
| regulation of gene expression | biological process | Any process that modulates the frequency, rate or extent of gene expression. Gene expression is the process in which a gene's coding sequence is converted into a mature gene product (protein or RNA). [GOC:txnOH-2018] |
| monoterpenoid metabolic process | biological process | The chemical reactions and pathways involving monoterpenoid compounds, terpenoids having a C10 skeleton. [ISBN:0198547684] |
| dibenzo-p-dioxin metabolic process | biological process | The chemical reactions and pathways involving dibenzo-p-dioxin, a substance composed of two benzene rings linked by two ether bonds. Dibenzo-p-dioxins are generated as by-products in the manufacturing of herbicides, insecticides, fungicides, paper pulp bleaching, and in incineration, and can accumulate in milk and throughout the food chain, creating significant health concern. [UM-BBD_pathwayID:dpd] |
| epoxygenase P450 pathway | biological process | The chemical reactions and pathways by which arachidonic acid is converted to other compounds including epoxyeicosatrienoic acids and dihydroxyeicosatrienoic acids. [GOC:mah, PMID:17979511] |
| lung development | biological process | The process whose specific outcome is the progression of the lung over time, from its formation to the mature structure. In all air-breathing vertebrates the lungs are developed from the ventral wall of the oesophagus as a pouch which divides into two sacs. In amphibians and many reptiles the lungs retain very nearly this primitive sac-like character, but in the higher forms the connection with the esophagus becomes elongated into the windpipe and the inner walls of the sacs become more and more divided, until, in the mammals, the air spaces become minutely divided into tubes ending in small air cells, in the walls of which the blood circulates in a fine network of capillaries. In mammals the lungs are more or less divided into lobes, and each lung occupies a separate cavity in the thorax. [GOC:jid, UBERON:0002048] |
| methylation | biological process | The process in which a methyl group is covalently attached to a molecule. [GOC:mah] |
| monocarboxylic acid metabolic process | biological process | The chemical reactions and pathways involving monocarboxylic acids, any organic acid containing one carboxyl (COOH) group or anion (COO-). [GOC:vk] |
| 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] |
| cellular respiration | biological process | The enzymatic release of energy from inorganic and organic compounds (especially carbohydrates and fats) which either requires oxygen (aerobic respiration) or does not (anaerobic respiration). [GOC:das, ISBN:0140513590, ISBN:0198506732] |
| aflatoxin metabolic process | biological process | The chemical reactions and pathways involving aflatoxin, a fungal metabolite found as a contaminant in moldy grains that induces liver cancer. Aflatoxin induces a G to T transversion at codon 249 of p53, leading to its inactivation. Aflatoxin is converted to a chemical carcinogen by P450. [GOC:ai] |
| hydrogen peroxide biosynthetic process | biological process | The chemical reactions and pathways resulting in the formation of hydrogen peroxide (H2O2), a potentially harmful byproduct of aerobic cellular respiration which can cause damage to DNA. [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] |
| cellular response to cadmium ion | 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 cadmium (Cd) ion stimulus. [GOC:mah] |
| omega-hydroxylase P450 pathway | biological process | The chemical reactions and pathways by which arachidonic acid is converted to other compounds initially by omega-hydroxylation. [GOC:mw, PMID:10681399] |