Reaction Details |
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Target | Cytochrome P450 3A4 |
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Ligand | BDBM50240469 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_1668235 (CHEMBL4018123) |
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IC50 | >10000±n/a nM |
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Citation | Sakurada, I; Endo, T; Hikita, K; Hirabayashi, T; Hosaka, Y; Kato, Y; Maeda, Y; Matsumoto, S; Mizuno, T; Nagasue, H; Nishimura, T; Shimada, S; Shinozaki, M; Taguchi, K; Takeuchi, K; Yokoyama, T; Hruza, A; Reichert, P; Zhang, T; Wood, HB; Nakao, K; Furusako, S Discovery of novel aminobenzisoxazole derivatives as orally available factor IXa inhibitors. Bioorg Med Chem Lett27:2622-2628 (2017) [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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BDBM50240469 |
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n/a |
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Name | BDBM50240469 |
Synonyms: | CHEMBL4096341 |
Type | Small organic molecule |
Emp. Form. | C22H19Cl2N7O2 |
Mol. Mass. | 484.338 |
SMILES | [H][C@@]12CC[C@]([H])([C@H]1NC(=O)c1ccc(cc1Cl)-n1cnc(C)n1)N(C2)c1ncc(Cl)c2cnoc12 |r,TLB:7:6:23.24:2.3,THB:25:23:6:2.3| |
Structure |
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