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Target
Cytochrome P450 2C9
Ligand
BDBM50256751
Substrate
n/a
Meas. Tech.
ChEMBL_519314 (CHEMBL947766)
IC50
1800±n/a nM
Citation
 Lyne, PD; Aquila, B; Cook, DJ; Dakin, LA; Ezhuthachan, J; Ioannidis, S; Pontz, T; Su, M; Ye, Q; Zheng, X; Block, MH; Cowen, S; Deegan, TL; Lee, JW; Scott, DA; Custeau, D; Drew, L; Poondru, S; Shen, M; Wu, A Identification of amidoheteroaryls as potent inhibitors of mutant (V600E) B-Raf kinase with in vivo activity. Bioorg Med Chem Lett 19:1026-9 (2009) [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:
BDBM50256751
Synonyms:
CHEMBL514670 | N-(6-amino-5-chloropyridin-3-yl)-2-methyl-5-(3-(trifluoromethyl)benzamido)benzamide
Type:
Small organic molecule
Emp. Form.:
C21H16ClF3N4O2
Mol. Mass.:
448.826
SMILES:
Cc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1C(=O)Nc1cnc(N)c(Cl)c1
Structure:
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