| Reaction Details |
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 | Report a problem with these data |
| Target | Cytochrome P450 3A4 |
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| Ligand | BDBM50198218 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_422039 (CHEMBL908803) |
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| IC50 | 53000±n/a nM |
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| Citation |  Price, S; Bordogna, W; Braganza, R; Bull, RJ; Dyke, HJ; Gardan, S; Gill, M; Harris, NV; Heald, RA; van den Heuvel, M; Lockey, PM; Lloyd, J; Molina, AG; Roach, AG; Roussel, F; Sutton, JM; White, AB Identification and optimisation of a series of substituted 5-pyridin-2-yl-thiophene-2-hydroxamic acids as potent histone deacetylase (HDAC) inhibitors. Bioorg Med Chem Lett17:363-9 (2007) [PubMed] Article |
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| More Info.: | Get all data from this article, Assay Method |
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| Cytochrome P450 3A4 |
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| Name: | Cytochrome P450 3A4 |
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| Synonyms: | Albendazole monooxygenase | Albendazole sulfoxidase | CP3A4_HUMAN | CYP3A3 | CYP3A4 | CYPIIIA3 | CYPIIIA4 | Cytochrome P450 3A3 | Cytochrome P450 3A4 (CYP3A4) | Cytochrome P450 HLp | Nifedipine oxidase | Quinine 3-monooxygenase | Taurochenodeoxycholate 6-alpha-hydroxylase |
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| Type: | Enzyme |
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| Mol. Mass.: | 57349.57 |
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| Organism: | Homo sapiens (Human) |
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| Description: | n/a |
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| Residue: | 503 |
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| Sequence: | MALIPDLAMETWLLLAVSLVLLYLYGTHSHGLFKKLGIPGPTPLPFLGNILSYHKGFCMF
DMECHKKYGKVWGFYDGQQPVLAITDPDMIKTVLVKECYSVFTNRRPFGPVGFMKSAISI
AEDEEWKRLRSLLSPTFTSGKLKEMVPIIAQYGDVLVRNLRREAETGKPVTLKDVFGAYS
MDVITSTSFGVNIDSLNNPQDPFVENTKKLLRFDFLDPFFLSITVFPFLIPILEVLNICV
FPREVTNFLRKSVKRMKESRLEDTQKHRVDFLQLMIDSQNSKETESHKALSDLELVAQSI
IFIFAGYETTSSVLSFIMYELATHPDVQQKLQEEIDAVLPNKAPPTYDTVLQMEYLDMVV
NETLRLFPIAMRLERVCKKDVEINGMFIPKGVVVMIPSYALHRDPKYWTEPEKFLPERFS
KKNKDNIDPYIYTPFGSGPRNCIGMRFALMNMKLALIRVLQNFSFKPCKETQIPLKLSLG
GLLQPEKPVVLKVESRDGTVSGA
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| BDBM50198218 |
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| n/a |
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| Name | BDBM50198218 |
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| Synonyms: | 5-(1-(2-(benzo[d][1,3]dioxol-5-ylmethylamino)ethyl)-1H-pyrazol-3-yl)-N-hydroxythiophene-2-carboxamide | ADS-102550 | CHEMBL217716 |
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| Type | Small organic molecule |
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| Emp. Form. | C18H18N4O4S |
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| Mol. Mass. | 386.425 |
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| SMILES | ONC(=O)c1ccc(s1)-c1ccn(CCNCc2ccc3OCOc3c2)n1 |
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| Structure | 
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