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SMILES: CC(O)CNc1nccc(n1)-n1c(CC#N)cnc1-c1ccc2ccccc2n1

InChI Key: InChIKey=MTLGSBMSYAUVFE-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 392721   
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
Mitogen-activated protein kinase 10


(Homo sapiens (Human))		BDBM392721
PNG
(Example 15 | US10301291, Compound 12c)
Show SMILES CC(O)CNc1nccc(n1)-n1c(CC#N)cnc1-c1ccc2ccccc2n1
Show InChI InChI=1S/C21H19N7O/c1-14(29)12-25-21-23-11-9-19(27-21)28-16(8-10-22)13-24-20(28)18-7-6-15-4-2-3-5-17(15)26-18/h2-7,9,11,13-14,29H,8,12H2,1H3,(H,23,25,27)
PDB
MMDB

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n/an/a 65n/an/an/an/an/an/a



Bristol-Myers Squibb Company



Assay Description
First of all, after a substrate was inserted into a prepared base reaction buffer solution (20 mM Hepes (pH 75), 10 mM MgCl2, 1 mM EGTA, 0.02% Brij35...

J Med Chem 52: 1994-2005 (2009)


BindingDB Entry DOI: 10.7270/Q20K2BW1
More data for this
Ligand-Target Pair