Reaction Details Report a problem with these data
Target
Cytochrome P450 2C19
Ligand
BDBM50294698
Substrate
n/a
Meas. Tech.
ChEMBL_576008 (CHEMBL1023634)
IC50
40±n/a nM
Citation
 Hammond, M; Patterson, JR; Manns, S; Hoang, TH; Washburn, DG; Trizna, W; Glace, L; Grygielko, ET; Nagilla, R; Nord, M; Fries, HE; Minick, DJ; Laping, NJ; Bray, JD; Thompson, SK Synthesis and SAR of amino acid-derived heterocyclic progesterone receptor full and partial agonists. Bioorg Med Chem Lett 19:2637-41 (2009) [PubMed]  Article 
Target
Name:
Cytochrome P450 2C19
Synonyms:
(R)-limonene 6-monooxygenase | (S)-limonene 6-monooxygenase | (S)-limonene 7-monooxygenase | CP2CJ_HUMAN | CYP2C19 | CYPIIC17 | CYPIIC19 | Cytochrome P450 2C19 (CYP2C19) | Cytochrome P450 2C19 [I331V] | Cytochrome P450-11A | Cytochrome P450-254C | Fenbendazole monooxygenase (4'-hydroxylating) | Mephenytoin 4-hydroxylase | P450-11A | P450-254C
Type:
Enzyme
Mol. Mass.:
55935.47
Organism:
Homo sapiens (Human)
Description:
P33261
Residue:
490
Sequence:
MDPFVVLVLCLSCLLLLSIWRQSSGRGKLPPGPTPLPVIGNILQIDIKDVSKSLTNLSKIYGPVFTLYFGLERMVVLHGYEVVKEALIDLGEEFSGRGHFPLAERANRGFGIVFSNGKRWKEIRRFSLMTLRNFGMGKRSIEDRVQEEARCLVEELRKTKASPCDPTFILGCAPCNVICSIIFQKRFDYKDQQFLNLMEKLNENIRIVSTPWIQICNNFPTIIDYFPGTHNKLLKNLAFMESDILEKVKEHQESMDINNPRDFIDCFLIKMEKEKQNQQSEFTIENLVITAADLLGAGTETTSTTLRYALLLLLKHPEVTAKVQEEIERVIGRNRSPCMQDRGHMPYTDAVVHEVQRYIDLIPTSLPHAVTCDVKFRNYLIPKGTTILTSLTSVLHDNKEFPNPEMFDPRHFLDEGGNFKKSNYFMPFSAGKRICVGEGLARMELFLFLTFILQNFNLKSLIDPKDLDTTPVVNGFASVPPFYQLCFIPV
  
Inhibitor
Name:
BDBM50294698
Synonyms:
4-((2-chlorobenzyl)(1-(1-methyl-1H-1,2,3-triazol-4-yl)ethyl)amino)-2-chlorobenzonitrile | CHEMBL551784
Type:
Small organic molecule
Emp. Form.:
C19H17Cl2N5
Mol. Mass.:
386.278
SMILES:
CC(N(Cc1ccccc1Cl)c1ccc(C#N)c(Cl)c1)c1cn(C)nn1
Structure:
Search PDB for entries with ligand similarity: