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Target
Cytochrome P450 2C9
Ligand
BDBM50379718
Substrate
n/a
Meas. Tech.
ChEMBL_812343 (CHEMBL2014022)
IC50
7000±n/a nM
Citation
 Cantin, LD; Bayrakdarian, M; Buon, C; Grazzini, E; Hu, YJ; Labrecque, J; Leung, C; Luo, X; Martino, G; Paré, M; Payza, K; Popovic, N; Projean, D; Santhakumar, V; Walpole, C; Yu, XH; Tomaszewski, MJ Discovery of P2X3 selective antagonists for the treatment of chronic pain. Bioorg Med Chem Lett 22:2565-71 (2012) [PubMed]  Article 
Target
Name:
Cytochrome P450 2C9
Synonyms:
(R)-limonene 6-monooxygenase | (S)-limonene 6-monooxygenase | CP2C9_HUMAN | CYP2C10 | CYP2C9 | CYPIIC9 | Cytochrome P450 2C9 (CYP2C9 ) | Cytochrome P450 2C9 (CYP2C9) | P-450MP | P450 MP-4/MP-8 | P450 PB-1 | S-mephenytoin 4-hydroxylase
Type:
Enzyme
Mol. Mass.:
55636.33
Organism:
Homo sapiens (Human)
Description:
P11712
Residue:
490
Sequence:
MDSLVVLVLCLSCLLLLSLWRQSSGRGKLPPGPTPLPVIGNILQIGIKDISKSLTNLSKVYGPVFTLYFGLKPIVVLHGYEAVKEALIDLGEEFSGRGIFPLAERANRGFGIVFSNGKKWKEIRRFSLMTLRNFGMGKRSIEDRVQEEARCLVEELRKTKASPCDPTFILGCAPCNVICSIIFHKRFDYKDQQFLNLMEKLNENIKILSSPWIQICNNFSPIIDYFPGTHNKLLKNVAFMKSYILEKVKEHQESMDMNNPQDFIDCFLMKMEKEKHNQPSEFTIESLENTAVDLFGAGTETTSTTLRYALLLLLKHPEVTAKVQEEIERVIGRNRSPCMQDRSHMPYTDAVVHEVQRYIDLLPTSLPHAVTCDIKFRNYLIPKGTTILISLTSVLHDNKEFPNPEMFDPHHFLDEGGNFKKSKYFMPFSAGKRICVGEALAGMELFLFLTSILQNFNLKSLVDPKNLDTTPVVNGFASVPPFYQLCFIPV
  
Inhibitor
Name:
BDBM50379718
Synonyms:
CHEMBL2011127
Type:
Small organic molecule
Emp. Form.:
C26H31N7O2
Mol. Mass.:
473.57
SMILES:
CC(C)N1Cc2c(nc(nc2N(C)Cc2cc3ccccc3cn2)N2CCN(CC2)C(C)=O)C1=O
Structure:
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