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SMILES: COc1ncccc1-c1cncc(c1)-c1cnc(Nc2cc(ccn2)N2CCOCC2)s1

InChI Key: InChIKey=YHJOSFYDIXJAGR-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50379761   
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))		BDBM50379761
PNG
(CHEMBL2011345)
Show SMILES COc1ncccc1-c1cncc(c1)-c1cnc(Nc2cc(ccn2)N2CCOCC2)s1
Show InChI InChI=1S/C23H22N6O2S/c1-30-22-19(3-2-5-26-22)16-11-17(14-24-13-16)20-15-27-23(32-20)28-21-12-18(4-6-25-21)29-7-9-31-10-8-29/h2-6,11-15H,7-10H2,1H3,(H,25,27,28)
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n/an/a 350n/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