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Target
Cytochrome P450 3A4
Ligand
BDBM50325178
Substrate
n/a
Meas. Tech.
ChEMBL_651755 (CHEMBL1228445)
IC50
14000±n/a nM
Citation
 Chen, A; Dubé, D; Dubé, L; Gagné, S; Gallant, M; Gaudreault, M; Grimm, E; Houle, R; Lacombe, P; Laliberté, S; Liu, S; MacDonald, D; Mackay, B; Martin, D; McKay, D; Powell, D; Lévesque, JF Addressing time-dependent CYP 3A4 inhibition observed in a novel series of substituted amino propanamide renin inhibitors, a case study. Bioorg Med Chem Lett 20:5074-9 (2010) [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:
BDBM50325178
Synonyms:
(R)-3-amino-N-(2-chloro-5-(3-methoxypropyl)benzyl)-N-cyclopropyl-2-(4-(2-(2,6-dichloro-4-methylphenoxy)ethoxy)benzyl)propanamide | CHEMBL1222884
Type:
Small organic molecule
Emp. Form.:
C33H39Cl3N2O4
Mol. Mass.:
634.033
SMILES:
COCCCc1ccc(Cl)c(CN(C2CC2)C(=O)[C@@H](CN)Cc2ccc(OCCOc3c(Cl)cc(C)cc3Cl)cc2)c1 |r|
Structure:
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