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SMILES: Cc1ncc(cn1)-c1cnc(Nc2cccc(n2)N2CCNCC2)s1

InChI Key: InChIKey=RSJGHGUEQGPMMR-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50379756   
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))		BDBM50379756
PNG
(CHEMBL2011339)
Show SMILES Cc1ncc(cn1)-c1cnc(Nc2cccc(n2)N2CCNCC2)s1
Show InChI InChI=1S/C17H19N7S/c1-12-19-9-13(10-20-12)14-11-21-17(25-14)23-15-3-2-4-16(22-15)24-7-5-18-6-8-24/h2-4,9-11,18H,5-8H2,1H3,(H,21,22,23)
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n/an/a 120n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Competitive inhibition of Chk1 in presence of higher ATP levels

Bioorg Med Chem Lett 22: 2609-12 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.110
BindingDB Entry DOI: 10.7270/Q22F7PFG
More data for this
Ligand-Target Pair