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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'B-Raf Protein Kinase Mutant (V599E)'   
Target
(Institution)
LigandTarget
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
B-Raf Protein Kinase Mutant (V599E)


(Homo sapiens (human))
BDBM16673
PNG
(4-[4-({[4-chloro-3-(trifluoromethyl)phenyl]carbamo...)
Show SMILES CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)cc2)ccn1
Show InChI InChI=1S/C21H16ClF3N4O3/c1-26-19(30)18-11-15(8-9-27-18)32-14-5-2-12(3-6-14)28-20(31)29-13-4-7-17(22)16(10-13)21(23,24)25/h2-11H,1H3,(H,26,30)(H2,28,29,31)
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Article
PubMed
n/an/a 38n/an/an/an/a8.232



Bayer Pharmaceuticals Corporation



Assay Description
The biochemical activity of compound was determined by incubation with Raf kinases and substrate MEK-1 in the presence of 1-10 uM ATP/ [gamma-32P] AT...


Cancer Res 64: 7099-109 (2004)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)