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Target
Cytochrome P450 3A4
Ligand
BDBM50244021
Substrate
n/a
Meas. Tech.
ChEMBL_555225 (CHEMBL965362)
IC50
5000±n/a nM
Citation
 McAtee, JJ; Dodson, JW; Dowdell, SE; Erhard, K; Girard, GR; Goodman, KB; Hilfiker, MA; Jin, J; Sehon, CA; Sha, D; Shi, D; Wang, F; Wang, GZ; Wang, N; Wang, Y; Viet, AQ; Yuan, CC; Zhang, D; Aiyar, NV; Behm, DJ; Carballo, LH; Evans, CA; Fries, HE; Nagilla, R; Roethke, TJ; Xu, X; Douglas, SA; Neeb, MJ Potent and selective small-molecule human urotensin-II antagonists with improved pharmacokinetic profiles. Bioorg Med Chem Lett 18:3716-9 (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:
BDBM50244021
Synonyms:
4'-(1-{[2-(6,7-Dichloro-2-oxo-2H-quinoxalin-1-yl)-acetyl]-methyl-amino}-2-morpholin-4-yl-ethyl)-biphenyl-3-carboxylic acid methylamide | CHEMBL507691
Type:
Small organic molecule
Emp. Form.:
C31H31Cl2N5O4
Mol. Mass.:
608.515
SMILES:
CNC(=O)c1cccc(c1)-c1ccc(cc1)C(CN1CCOCC1)N(C)C(=O)Cn1c2cc(Cl)c(Cl)cc2ncc1=O
Structure:
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