Reaction Details Report a problem with these data
Target
Cytochrome P450 3A4
Ligand
BDBM50268983
Substrate
n/a
Meas. Tech.
ChEMBL_519907 (CHEMBL964396)
IC50
5200±n/a nM
Citation
 Bailey, N; Bamford, MJ; Brissy, D; Brookfield, J; Demont, E; Elliott, R; Garton, N; Farre-Gutierrez, I; Hayhow, T; Hutley, G; Naylor, A; Panchal, TA; Seow, HX; Spalding, D; Takle, AK Orally active C-6 heteroaryl- and heterocyclyl-substituted imidazo[1,2-a]pyridine acid pump antagonists (APAs). Bioorg Med Chem Lett 19:3602-6 (2009) [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:
BDBM50268983
Synonyms:
CHEMBL526841 | N-(2-chloro-4-fluorobenzyl)-2,3-dimethyl-6-(1H-1,2,4-triazol-1-yl)imidazo[1,2-a]pyridin-8-amine
Type:
Small organic molecule
Emp. Form.:
C18H16ClFN6
Mol. Mass.:
370.811
SMILES:
Cc1nc2c(NCc3ccc(F)cc3Cl)cc(cn2c1C)-n1cncn1
Structure:
Search PDB for entries with ligand similarity: