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SMILES: O=C(Nc1ccccc1N1CCNCC1)c1csc(n1)N1Cc2cn[nH]c2C1

InChI Key: InChIKey=WYXLJUGPOFKWSP-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50433507   
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))		BDBM50433507
PNG
(CHEMBL2381242)
Show SMILES O=C(Nc1ccccc1N1CCNCC1)c1csc(n1)N1Cc2cn[nH]c2C1
Show InChI InChI=1S/C19H21N7OS/c27-18(22-14-3-1-2-4-17(14)25-7-5-20-6-8-25)16-12-28-19(23-16)26-10-13-9-21-24-15(13)11-26/h1-4,9,12,20H,5-8,10-11H2,(H,21,24)(H,22,27)
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PC sid
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n/an/a 62n/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