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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 = 'BDBM50179759'   
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))		BDBM50179759
PNG
(CHEMBL3814609)
Show SMILES CN(C)C(=O)Oc1ccc2c(c1)oc(=O)n(Cc1cccc(NS(N)(=O)=O)c1F)c2=O
Show InChI InChI=1S/C18H17FN4O7S/c1-22(2)17(25)29-11-6-7-12-14(8-11)30-18(26)23(16(12)24)9-10-4-3-5-13(15(10)19)21-31(20,27)28/h3-8,21H,9H2,1-2H3,(H2,20,27,28)
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Similars
Article
PubMed
n/an/a 840n/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