Reaction Details Report a problem with these data
Target
Cytochrome P450 2C19
Ligand
BDBM50236947
Substrate
n/a
Meas. Tech.
ChEMBL_1659866 (CHEMBL4009478)
IC50
>20000±n/a nM
Citation
 Horley, NJ; Beresford, KJ; Chawla, T; McCann, GJ; Ruparelia, KC; Gatchie, L; Sonawane, VR; Williams, IS; Tan, HL; Joshi, P; Bharate, SS; Kumar, V; Bharate, SB; Chaudhuri, B Discovery and characterization of novel CYP1B1 inhibitors based on heterocyclic chalcones: Overcoming cisplatin resistance in CYP1B1-overexpressing lines. Eur J Med Chem 129:159-174 (2017) [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:
BDBM50236947
Synonyms:
CHEMBL4092737
Type:
Small organic molecule
Emp. Form.:
C19H15NO2
Mol. Mass.:
289.3279
SMILES:
COc1ccc2cc(ccc2c1)C(=O)\C=C\c1cccnc1
Structure:
Search PDB for entries with ligand similarity: