Reaction Details Report a problem with these data
Target
Cytochrome P450 2C19
Ligand
BDBM50444437
Substrate
n/a
Meas. Tech.
ChEMBL_1280460 (CHEMBL3095954)
IC50
6140±n/a nM
Citation
 Atobe, M; Naganuma, K; Kawanishi, M; Morimoto, A; Kasahara, K; Ohashi, S; Suzuki, H; Hayashi, T; Miyoshi, S SAR-based optimization of 2-(1H-pyrazol-1-yl)-thiazole derivatives as highly potent EP1 receptor antagonists. Bioorg Med Chem Lett 23:6569-76 (2013) [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:
BDBM50444437
Synonyms:
CHEMBL3092130
Type:
Small organic molecule
Emp. Form.:
C19H14N4O2S
Mol. Mass.:
362.405
SMILES:
Nc1c(nn(-c2nc(cs2)C(O)=O)c1-c1ccccc1)-c1ccccc1
Structure:
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