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SMILES: O=C(Nc1ccccc1N1CCNCC1)c1csc(n1)N1CCc2sccc2C1

InChI Key: InChIKey=SVOAPWIJSMZHDG-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50433511   
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))		BDBM50433511
PNG
(CHEMBL2381237)
Show SMILES O=C(Nc1ccccc1N1CCNCC1)c1csc(n1)N1CCc2sccc2C1
Show InChI InChI=1S/C21H23N5OS2/c27-20(23-16-3-1-2-4-18(16)25-10-7-22-8-11-25)17-14-29-21(24-17)26-9-5-19-15(13-26)6-12-28-19/h1-4,6,12,14,22H,5,7-11,13H2,(H,23,27)
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n/an/a 39n/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