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Target
Cytochrome P450 2C9
Ligand
BDBM50201901
Substrate
n/a
Meas. Tech.
ChEMBL_423305 (CHEMBL908899)
IC50
8200±n/a nM
Citation
 Kaila, N; Janz, K; DeBernardo, S; Bedard, PW; Camphausen, RT; Tam, S; Tsao, DH; Keith, JC; Nickerson-Nutter, C; Shilling, A; Young-Sciame, R; Wang, Q Synthesis and biological evaluation of quinoline salicylic acids as P-selectin antagonists. J Med Chem 50:21-39 (2007) [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:
BDBM50201901
Synonyms:
2-(4-chlorophenyl)-3-hydroxy-8-phenylquinoline-4-carboxylicacid | CHEMBL218583
Type:
Small organic molecule
Emp. Form.:
C22H14ClNO3
Mol. Mass.:
375.804
SMILES:
OC(=O)c1c(O)c(nc2c(cccc12)-c1ccccc1)-c1ccc(Cl)cc1
Structure:
Search PDB for entries with ligand similarity: