Reaction Details Report a problem with these data
Target
Cytochrome P450 2C19
Ligand
BDBM50412728
Substrate
n/a
Meas. Tech.
ChEMBL_539034 (CHEMBL1035708)
IC50
>10000±n/a nM
Citation
 Jin, J; Budzik, B; Wang, Y; Shi, D; Wang, F; Xie, H; Wan, Z; Zhu, C; Foley, JJ; Webb, EF; Berlanga, M; Burman, M; Sarau, HM; Morrow, DM; Moore, ML; Rivero, RA; Palovich, M; Salmon, M; Belmonte, KE; Lainé, DI Discovery of biphenyl piperazines as novel and long acting muscarinic acetylcholine receptor antagonists. J Med Chem 51:5915-8 (2008) [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:
BDBM50412728
Synonyms:
CHEMBL521523
Type:
Small organic molecule
Emp. Form.:
C32H39FN4O
Mol. Mass.:
514.6767
SMILES:
C[C@H]1CN(Cc2cccc(c2)-c2cc(CNC(=O)c3cccc(CC4CCNCC4)c3)ccc2F)CCN1 |r|
Structure:
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