| Reaction Details |
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 | Report a problem with these data |
| Target | Cytochrome P450 3A4 |
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| Ligand | BDBM50233640 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_1651046 (CHEMBL4000301) |
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| IC50 | >20000±n/a nM |
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| Citation |  Duraiswamy, AJ; Lee, MA; Madan, B; Ang, SH; Tan, ES; Cheong, WW; Ke, Z; Pendharkar, V; Ding, LJ; Chew, YS; Manoharan, V; Sangthongpitag, K; Alam, J; Poulsen, A; Ho, SY; Virshup, DM; Keller, TH Discovery and Optimization of a Porcupine Inhibitor. J Med Chem58:5889-99 (2015) [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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| BDBM50233640 |
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| n/a |
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| Name | BDBM50233640 |
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| Synonyms: | CHEMBL4098880 |
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| Type | Small organic molecule |
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| Emp. Form. | C22H21N7O |
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| Mol. Mass. | 399.4484 |
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| SMILES | C[C@H](Nc1ccc(nc1)-c1ccnn1C)C(=O)Nc1ccc(nc1)-c1cccnc1 |r| |
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| Structure | 
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