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Target
Cytochrome P450 2C9
Ligand
BDBM50203654
Substrate
n/a
Meas. Tech.
ChEMBL_1625800 (CHEMBL3868269)
IC50
32970±n/a nM
Citation
 Lombardo, M; Bender, K; London, C; Plotkin, MA; Kirkland, M; Mane, J; Pachanski, M; Geissler, W; Cummings, J; Habulihaz, B; Akiyama, TE; Di Salvo, J; Madeira, M; Pols, J; Powles, MA; Finley, MF; Johnson, E; Roussel, T; Uebele, VN; Crespo, A; Leung, D; Alleyne, C; Trusca, D; Lei, Y; Howard, AD; Ujjainwalla, F; Tata, JR; Sinz, CJ Discovery of benzofuran propanoic acid GPR120 agonists: From uHTS hit to mechanism-based pharmacodynamic effects. Bioorg Med Chem Lett 26:5724-5728 (2016) [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:
BDBM50203654
Synonyms:
CHEMBL3968947
Type:
Small organic molecule
Emp. Form.:
C17H14ClF3O4
Mol. Mass.:
374.739
SMILES:
OC(=O)CCCOc1ccc(cc1)-c1cc(OC(F)(F)F)ccc1Cl
Structure:
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