Reaction Details Report a problem with these data
Target
Cytochrome P450 2C19
Ligand
BDBM50302042
Substrate
n/a
Meas. Tech.
ChEMBL_599151 (CHEMBL1047206)
IC50
>10000±n/a nM
Citation
 Prashad, AS; Wang, D; Subrath, J; Wu, B; Lin, M; Zhang, MY; Kagan, N; Lee, J; Yang, X; Brennan, A; Chaudhary, D; Xu, X; Leung, L; Wang, J; Boschelli, DH C-5 substituted heteroaryl-3-pyridinecarbonitriles as PKCtheta inhibitors: part II. Bioorg Med Chem Lett 19:5799-802 (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:
BDBM50302042
Synonyms:
4-(4-methyl-1H-indol-5-ylamino)-5-(5-((4-methylpiperazin-1-yl)methyl)benzofuran-2-yl)nicotinonitrile | CHEMBL571581
Type:
Small organic molecule
Emp. Form.:
C29H28N6O
Mol. Mass.:
476.5722
SMILES:
CN1CCN(Cc2ccc3oc(cc3c2)-c2cncc(C#N)c2Nc2ccc3[nH]ccc3c2C)CC1
Structure:
Search PDB for entries with ligand similarity: