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Target
Cytochrome P450 3A4
Ligand
BDBM50311412
Substrate
n/a
Meas. Tech.
ChEMBL_622575 (CHEMBL1109287)
IC50
1900±n/a nM
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 Lett 19:6452-8 (2009) [PubMed]  Article
Target
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:
MALIPDLAMETWLLLAVSLVLLYLYGTHSHGLFKKLGIPGPTPLPFLGNILSYHKGFCMFDMECHKKYGKVWGFYDGQQPVLAITDPDMIKTVLVKECYSVFTNRRPFGPVGFMKSAISIAEDEEWKRLRSLLSPTFTSGKLKEMVPIIAQYGDVLVRNLRREAETGKPVTLKDVFGAYSMDVITSTSFGVNIDSLNNPQDPFVENTKKLLRFDFLDPFFLSITVFPFLIPILEVLNICVFPREVTNFLRKSVKRMKESRLEDTQKHRVDFLQLMIDSQNSKETESHKALSDLELVAQSIIFIFAGYETTSSVLSFIMYELATHPDVQQKLQEEIDAVLPNKAPPTYDTVLQMEYLDMVVNETLRLFPIAMRLERVCKKDVEINGMFIPKGVVVMIPSYALHRDPKYWTEPEKFLPERFSKKNKDNIDPYIYTPFGSGPRNCIGMRFALMNMKLALIRVLQNFSFKPCKETQIPLKLSLGGLLQPEKPVVLKVESRDGTVSGA
  
Inhibitor
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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