Reaction Details Report a problem with these data
Target
Cytochrome P450 3A4
Ligand
BDBM50372609
Substrate
n/a
Meas. Tech.
ChEMBL_465432 (CHEMBL946016)
IC50
3000±n/a nM
Citation
 Liddle, J; Allen, MJ; Borthwick, AD; Brooks, DP; Davies, DE; Edwards, RM; Exall, AM; Hamlett, C; Irving, WR; Mason, AM; McCafferty, GP; Nerozzi, F; Peace, S; Philp, J; Pollard, D; Pullen, MA; Shabbir, SS; Sollis, SL; Westfall, TD; Woollard, PM; Wu, C; Hickey, DM The discovery of GSK221149A: a potent and selective oxytocin antagonist. Bioorg Med Chem Lett 18:90-4 (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:
BDBM50372609
Synonyms:
CHEMBL401960
Type:
Small organic molecule
Emp. Form.:
C27H32F3N3O4
Mol. Mass.:
519.5559
SMILES:
CC(C)C[C@H]1N([C@@H](C(=O)NC(C)C)c2ccc(o2)C(F)(F)F)C(=O)[C@H](NC1=O)C1Cc2ccccc2C1
Structure:
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