Reaction Details |
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Target | Cytochrome P450 3A4 |
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Ligand | BDBM50516625 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_1866223 (CHEMBL4367198) |
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IC50 | >10000±n/a nM |
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Citation | Jackson, JJ; Ketcham, JM; Younai, A; Abraham, B; Biannic, B; Beck, HP; Bui, MHT; Chian, D; Cutler, G; Diokno, R; Hu, DX; Jacobson, S; Karbarz, E; Kassner, PD; Marshall, L; McKinnell, J; Meleza, C; Okal, A; Pookot, D; Reilly, MK; Robles, O; Shunatona, HP; Talay, O; Walker, JR; Wadsworth, A; Wustrow, DJ; Zibinsky, M Discovery of a Potent and Selective CCR4 Antagonist That Inhibits T J Med Chem62:6190-6213 (2019) [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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BDBM50516625 |
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n/a |
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Name | BDBM50516625 |
Synonyms: | CHEMBL4459231 |
Type | Small organic molecule |
Emp. Form. | C26H28Cl2N6O |
Mol. Mass. | 511.446 |
SMILES | C[C@H](c1ccc(Cl)cc1Cl)n1nc(C#N)c2ncc(nc12)C1=CC[C@@H]([C@H](C)C1)N1CCC[C@H]1CO |r,t:24| |
Structure |
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