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SMILES: O=C(Nc1ccccc1N1CCNCC1)c1csc(Nc2ccccc2)n1

InChI Key: InChIKey=GOHJKCRHNWMRCD-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50433520   
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))		BDBM50433520
PNG
(CHEMBL2381228)
Show SMILES O=C(Nc1ccccc1N1CCNCC1)c1csc(Nc2ccccc2)n1
Show InChI InChI=1S/C20H21N5OS/c26-19(17-14-27-20(24-17)22-15-6-2-1-3-7-15)23-16-8-4-5-9-18(16)25-12-10-21-11-13-25/h1-9,14,21H,10-13H2,(H,22,24)(H,23,26)
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PubMed
n/an/a 92n/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