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Target
Cytochrome P450 3A4
Ligand
BDBM50240153
Substrate
n/a
Meas. Tech.
ChEMBL_479364 (CHEMBL921647)
IC50
1400±n/a nM
Citation
 McAtee, JJ; Dodson, JW; Dowdell, SE; Girard, GR; Goodman, KB; Hilfiker, MA; Sehon, CA; Sha, D; Wang, GZ; Wang, N; Viet, AQ; Zhang, D; Aiyar, NV; Behm, DJ; Carballo, LH; Evans, CA; Fries, HE; Nagilla, R; Roethke, TJ; Xu, X; Yuan, CC; Douglas, SA; Neeb, MJ Development of potent and selective small-molecule human Urotensin-II antagonists. Bioorg Med Chem Lett 18:3500-3 (2008) [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:
BDBM50240153
Synonyms:
(+/-)-2-((3,4-dichlorophenyl)(methyl)amino)-1-(3-phenyl-2-(pyrrolidin-1-ylmethyl)piperidin-1-yl)ethanone | CHEMBL254356 | rac-2-((3,4-dichlorophenyl)(methyl)amino)-1-(3-phenyl-2-(pyrrolidin-1-ylmethyl)piperidin-1-yl)ethanone
Type:
Small organic molecule
Emp. Form.:
C25H31Cl2N3O
Mol. Mass.:
460.439
SMILES:
CN(CC(=O)N1CCCC(C1CN1CCCC1)c1ccccc1)c1ccc(Cl)c(Cl)c1
Structure:
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