Reaction Details Report a problem with these data
Target
Cytochrome P450 2C19
Ligand
BDBM50311763
Substrate
n/a
Meas. Tech.
ChEMBL_619262 (CHEMBL1100429)
IC50
6500±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 2C19
Synonyms:
CP2CJ_HUMAN | CYP2C19 | CYPIIC17 | CYPIIC19 | Cytochrome P450 2C19 (CYP2C19) | Cytochrome P450 2C19 [I331V] | Mephenytoin 4-hydroxylase | P450-11A | P450-254C
Type:
Enzyme
Mol. Mass.:
55935.47
Organism:
Homo sapiens (Human)
Description:
P33261
Residue:
490
Sequence:
MDPFVVLVLCLSCLLLLSIWRQSSGRGKLPPGPTPLPVIGNILQIDIKDVSKSLTNLSKIYGPVFTLYFGLERMVVLHGYEVVKEALIDLGEEFSGRGHFPLAERANRGFGIVFSNGKRWKEIRRFSLMTLRNFGMGKRSIEDRVQEEARCLVEELRKTKASPCDPTFILGCAPCNVICSIIFQKRFDYKDQQFLNLMEKLNENIRIVSTPWIQICNNFPTIIDYFPGTHNKLLKNLAFMESDILEKVKEHQESMDINNPRDFIDCFLIKMEKEKQNQQSEFTIENLVITAADLLGAGTETTSTTLRYALLLLLKHPEVTAKVQEEIERVVGRNRSPCMQDRGHMPYTDAVVHEVQRYIDLIPTSLPHAVTCDVKFRNYLIPKGTTILTSLTSVLHDNKEFPNPEMFDPRHFLDEGGNFKKSNYFMPFSAGKRICVGEGLARMELFLFLTFILQNFNLKSLIDPKDLDTTPVVNGFASVPPFYQLCFIPV
  
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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