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SMILES: CN(C)C(=O)Oc1ccc2c(c1)oc(=O)n(Cc1cccc(NS(C)(=O)=O)c1)c2=O

InChI Key: InChIKey=DECLKRAUWLZAGT-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50179913   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/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))		BDBM50179913
PNG
(CHEMBL3814049)
Show SMILES CN(C)C(=O)Oc1ccc2c(c1)oc(=O)n(Cc1cccc(NS(C)(=O)=O)c1)c2=O
Show InChI InChI=1S/C19H19N3O7S/c1-21(2)18(24)28-14-7-8-15-16(10-14)29-19(25)22(17(15)23)11-12-5-4-6-13(9-12)20-30(3,26)27/h4-10,20H,11H2,1-3H3
PDB
MMDB

NCI pathway
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KEGG

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PubMed
n/an/a 5.92E+3n/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)


BindingDB Entry DOI: 10.7270/Q251415P
More data for this
Ligand-Target Pair