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SMILES: OCCNc1ccnc(Nc2ncc(s2)-c2cncnc2)c1

InChI Key: InChIKey=LELCYHLXNZROSN-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50379752   
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))		BDBM50379752
PNG
(CHEMBL2011335)
Show SMILES OCCNc1ccnc(Nc2ncc(s2)-c2cncnc2)c1
Show InChI InChI=1S/C14H14N6OS/c21-4-3-17-11-1-2-18-13(5-11)20-14-19-8-12(22-14)10-6-15-9-16-7-10/h1-2,5-9,21H,3-4H2,(H2,17,18,19,20)
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n/an/a 90n/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