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SMILES: O=C(Nc1ccccc1N1CCNCC1)c1csc(n1)-n1nnc2ccccc12

InChI Key: InChIKey=GYHNRCKMLHUURF-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50433503   
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 Chk1


(Homo sapiens (Human))		BDBM50433503
PNG
(CHEMBL2381247)
Show SMILES O=C(Nc1ccccc1N1CCNCC1)c1csc(n1)-n1nnc2ccccc12
Show InChI InChI=1S/C20H19N7OS/c28-19(22-14-5-1-3-7-17(14)26-11-9-21-10-12-26)16-13-29-20(23-16)27-18-8-4-2-6-15(18)24-25-27/h1-8,13,21H,9-12H2,(H,22,28)
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n/an/a 110n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of recombinant His-tagged CHK1 (unknown origin) expressed in baculovirus expression system using biotin-RSGLYRSPSMPENLNRPR as substrate af...

Bioorg Med Chem Lett 23: 2590-4 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.108
BindingDB Entry DOI: 10.7270/Q2125V19
More data for this
Ligand-Target Pair