Reaction Details |
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Target | Cytochrome P450 3A4 |
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Ligand | BDBM50311412 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_622575 (CHEMBL1109287) |
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IC50 | 1900±n/a nM |
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Citation | Bailey, JM; Scott, JS; Basilla, JB; Bolton, VJ; Boyfield, I; Evans, DG; Fleury, E; Heightman, TD; Jarvie, EM; Lawless, K; Matthews, KL; McKay, F; Mok, H; Muir, A; Orlek, BS; Sanger, GJ; Stemp, G; Stevens, AJ; Thompson, M; Ward, J; Vaidya, K; Westaway, SM The discovery and optimisation of benzazepine sulfonamide and sulfones as potent agonists of the motilin receptor. Bioorg Med Chem Lett19:6452-8 (2009) [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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BDBM50311412 |
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n/a |
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Name | BDBM50311412 |
Synonyms: | CHEMBL1080046 | N-(3-((1H-pyrazol-3-yl)methyl)-2,3,4,5-tetrahydro-1H-benzo[d]azepin-7-yl)-4-butylbenzenesulfonamide |
Type | Small organic molecule |
Emp. Form. | C24H30N4O2S |
Mol. Mass. | 438.586 |
SMILES | CCCCc1ccc(cc1)S(=O)(=O)Nc1ccc2CCN(Cc3ccn[nH]3)CCc2c1 |
Structure |
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