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TargetCytochrome P450 2C9
LigandBDBM50256724
Substrate/Competitorn/a
Meas. Tech.ChEMBL_519314 (CHEMBL947766)
IC50 400±n/a nM
Citation Lyne, PDAquila, BCook, DJDakin, LAEzhuthachan, JIoannidis, SPontz, TSu, MYe, QZheng, XBlock, MHCowen, SDeegan, TLLee, JWScott, DACusteau, DDrew, LPoondru, SShen, MWu, A Identification of amidoheteroaryls as potent inhibitors of mutant (V600E) B-Raf kinase with in vivo activity. Bioorg Med Chem Lett19:1026-9 (2009) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
Cytochrome P450 2C9
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:
MDSLVVLVLCLSCLLLLSLWRQSSGRGKLPPGPTPLPVIGNILQIGIKDISKSLTNLSKV
YGPVFTLYFGLKPIVVLHGYEAVKEALIDLGEEFSGRGIFPLAERANRGFGIVFSNGKKW
KEIRRFSLMTLRNFGMGKRSIEDRVQEEARCLVEELRKTKASPCDPTFILGCAPCNVICS
IIFHKRFDYKDQQFLNLMEKLNENIKILSSPWIQICNNFSPIIDYFPGTHNKLLKNVAFM
KSYILEKVKEHQESMDMNNPQDFIDCFLMKMEKEKHNQPSEFTIESLENTAVDLFGAGTE
TTSTTLRYALLLLLKHPEVTAKVQEEIERVIGRNRSPCMQDRSHMPYTDAVVHEVQRYID
LLPTSLPHAVTCDIKFRNYLIPKGTTILISLTSVLHDNKEFPNPEMFDPHHFLDEGGNFK
KSKYFMPFSAGKRICVGEALAGMELFLFLTSILQNFNLKSLVDPKNLDTTPVVNGFASVP
PFYQLCFIPV
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50256724
n/a
NameBDBM50256724
Synonyms:CHEMBL475794 | N-(5-chloropyridin-3-yl)-5-(3-(2-cyanopropan-2-yl)benzamido)-2-methylbenzamide
TypeSmall organic molecule
Emp. Form.C24H21ClN4O2
Mol. Mass.432.902
SMILESCc1ccc(NC(=O)c2cccc(c2)C(C)(C)C#N)cc1C(=O)Nc1cncc(Cl)c1
Structure
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