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Target
Cytochrome P450 3A4
Ligand
BDBM50311763
Substrate
n/a
Meas. Tech.
ChEMBL_619264 (CHEMBL1100431)
IC50
2900±n/a nM
Citation
 Panchal, T; Bailey, N; Bamford, M; Demont, E; Elliott, R; Farre-Gutierrez, I; Garton, N; Hayhow, T; Hutley, G; Naylor, A Evaluation of basic, heterocyclic ring systems as templates for use as potassium competitive acid blockers (pCABs). Bioorg Med Chem Lett 19:6813-7 (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:
BDBM50311763
Synonyms:
1-(7-(2,6-dimethylbenzylamino)-1-ethyl-2,3-dimethyl-1H-pyrrolo[2,3-c]pyridin-5-yl)pyridin-2(1H)-one | CHEMBL1079958
Type:
Small organic molecule
Emp. Form.:
C25H28N4O
Mol. Mass.:
400.516
SMILES:
CCn1c(C)c(C)c2cc(nc(NCc3c(C)cccc3C)c12)-n1ccccc1=O
Structure:
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