Reaction Details |
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Target | Cytochrome P450 3A4 |
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Ligand | BDBM50399030 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_874073 (CHEMBL2186606) |
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IC50 | 6700±n/a nM |
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Citation | Hanan, EJ; van Abbema, A; Barrett, K; Blair, WS; Blaney, J; Chang, C; Eigenbrot, C; Flynn, S; Gibbons, P; Hurley, CA; Kenny, JR; Kulagowski, J; Lee, L; Magnuson, SR; Morris, C; Murray, J; Pastor, RM; Rawson, T; Siu, M; Ultsch, M; Zhou, A; Sampath, D; Lyssikatos, JP Discovery of potent and selective pyrazolopyrimidine janus kinase 2 inhibitors. J Med Chem55:10090-107 (2012) [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 |
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 |
Type: | Enzyme |
Mol. Mass.: | 57349.57 |
Organism: | Homo sapiens (Human) |
Description: | n/a |
Residue: | 503 |
Sequence: | MALIPDLAMETWLLLAVSLVLLYLYGTHSHGLFKKLGIPGPTPLPFLGNILSYHKGFCMF
DMECHKKYGKVWGFYDGQQPVLAITDPDMIKTVLVKECYSVFTNRRPFGPVGFMKSAISI
AEDEEWKRLRSLLSPTFTSGKLKEMVPIIAQYGDVLVRNLRREAETGKPVTLKDVFGAYS
MDVITSTSFGVNIDSLNNPQDPFVENTKKLLRFDFLDPFFLSITVFPFLIPILEVLNICV
FPREVTNFLRKSVKRMKESRLEDTQKHRVDFLQLMIDSQNSKETESHKALSDLELVAQSI
IFIFAGYETTSSVLSFIMYELATHPDVQQKLQEEIDAVLPNKAPPTYDTVLQMEYLDMVV
NETLRLFPIAMRLERVCKKDVEINGMFIPKGVVVMIPSYALHRDPKYWTEPEKFLPERFS
KKNKDNIDPYIYTPFGSGPRNCIGMRFALMNMKLALIRVLQNFSFKPCKETQIPLKLSLG
GLLQPEKPVVLKVESRDGTVSGA
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BDBM50399030 |
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n/a |
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Name | BDBM50399030 |
Synonyms: | CHEMBL2178258 |
Type | Small organic molecule |
Emp. Form. | C17H13ClN6OS |
Mol. Mass. | 384.843 |
SMILES | Cc1nc(c(NC(=O)c2cnn3ccc(N)nc23)s1)-c1cccc(Cl)c1 |
Structure |
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