Reaction Details |
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Target | Cytochrome P450 3A4 |
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Ligand | BDBM50400047 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_949749 (CHEMBL2350847) |
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IC50 | >25000±n/a nM |
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Citation | Padilla, F; Bhagirath, N; Chen, S; Chiao, E; Goldstein, DM; Hermann, JC; Hsu, J; Kennedy-Smith, JJ; Kuglstatter, A; Liao, C; Liu, W; Lowrie, LE; Luk, KC; Lynch, SM; Menke, J; Niu, L; Owens, TD; O-Yang, C; Railkar, A; Schoenfeld, RC; Slade, M; Steiner, S; Tan, YC; Villaseñor, AG; Wang, C; Wanner, J; Xie, W; Xu, D; Zhang, X; Zhou, M; Lucas, MC Pyrrolopyrazines as selective spleen tyrosine kinase inhibitors. J Med Chem56:1677-92 (2013) [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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BDBM50400047 |
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n/a |
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Name | BDBM50400047 |
Synonyms: | BIIB-057 | CHEMBL2177736 | US9579320, Example 87 |
Type | Small organic molecule |
Emp. Form. | C19H23N9O |
Mol. Mass. | 393.4456 |
SMILES | N[C@H]1CCCC[C@H]1Nc1ncc(C(N)=O)c(Nc2cccc(c2)-n2nccn2)n1 |r| |
Structure |
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