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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Serine/threonine-protein kinase B-raf' and Ligand = 'BDBM50179526'   
Target/Host
(Institution)		LigandTarget/Host
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
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))		BDBM50179526
PNG
(CHEMBL3814233)
Show SMILES CNS(=O)(=O)Nc1cccc(Cn2c(=O)oc3cc(OC(=O)C(C)C)ccc3c2=O)c1F
Show InChI InChI=1S/C20H20FN3O7S/c1-11(2)19(26)30-13-7-8-14-16(9-13)31-20(27)24(18(14)25)10-12-5-4-6-15(17(12)21)23-32(28,29)22-3/h4-9,11,22-23H,10H2,1-3H3
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Article
PubMed
n/an/a 720n/an/an/an/an/an/a



Peking University Health Science Center

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-tagged human BRAF/MEK1/RAF1 Y340D/Y341D double mutant measured after 2 hrs in presence of ATP by TR-FRET assay

Bioorg Med Chem 24: 3472-82 (2016)


Article DOI: 10.1016/j.bmc.2016.05.055
BindingDB Entry DOI: 10.7270/Q251415P
More data for this
Ligand-Target Pair