Reaction Details Report a problem with these data
Target
Cytochrome P450 2C9
Ligand
BDBM50089373
Substrate
n/a
Meas. Tech.
ChEMBL_1496481 (CHEMBL3578427)
IC50
>40000±n/a nM
Citation
 Letavic, MA; Aluisio, L; Apodaca, R; Bajpai, M; Barbier, AJ; Bonneville, A; Bonaventure, P; Carruthers, NI; Dugovic, C; Fraser, IC; Kramer, ML; Lord, B; Lovenberg, TW; Li, LY; Ly, KS; Mcallister, H; Mani, NS; Morton, KL; Ndifor, A; Nepomuceno, SD; Pandit, CR; Sands, SB; Shah, CR; Shelton, JE; Snook, SS; Swanson, DM; Xiao, W Novel benzamide-based histamine h3 receptor antagonists: the identification of two candidates for clinical development. ACS Med Chem Lett 6:450-4 (2015) [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:
BDBM50089373
Synonyms:
CHEMBL3577955
Type:
Small organic molecule
Emp. Form.:
C23H33N3O6
Mol. Mass.:
447.5246
SMILES:
OC(=O)\C=C/C(O)=O.CC(C)N1CCN(CC1)C(=O)c1ccc(CN2CCOCC2)cc1
Structure:
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