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Target
Cytochrome P450 3A4
Ligand
BDBM50340410
Substrate
n/a
Meas. Tech.
ChEMBL_741042 (CHEMBL1764270)
IC50
6300±n/a nM
Citation
 Aspiotis, R; Chen, A; Cauchon, E; Dubé, D; Falgueyret, JP; Gagné, S; Gallant, M; Grimm, EL; Houle, R; Juteau, H; Lacombe, P; Laliberté, S; Lévesque, JF; MacDonald, D; McKay, D; Percival, MD; Roy, P; Soisson, SM; Wu, T The discovery and synthesis of potent zwitterionic inhibitors of renin. Bioorg Med Chem Lett 21:2430-6 (2011) [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:
BDBM50340410
Synonyms:
(3R,4S)-N-cyclopropyl-4-(4-(2-(2,6-dichloro-4-methylphenoxy)ethoxy)phenyl)-N-(3-(3-(3-ethylureido)propoxy)-5-(3-methoxypropyl)benzyl)piperidine-3-carboxamide | CHEMBL1761522
Type:
Small organic molecule
Emp. Form.:
C41H54Cl2N4O6
Mol. Mass.:
769.797
SMILES:
CCNC(=O)NCCCOc1cc(CCCOC)cc(CN(C2CC2)C(=O)[C@H]2CNCC[C@@H]2c2ccc(OCCOc3c(Cl)cc(C)cc3Cl)cc2)c1 |r|
Structure:
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