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

InChI Key: InChIKey=LOUFGUOGVYYARE-UHFFFAOYSA-N

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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50379757   
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))		BDBM50379757
PNG
(CHEMBL2011340)
Show SMILES Cc1ncc(cn1)-c1cnc(Nc2cccc(NCCCN)n2)s1
Show InChI InChI=1S/C16H19N7S/c1-11-19-8-12(9-20-11)13-10-21-16(24-13)23-15-5-2-4-14(22-15)18-7-3-6-17/h2,4-5,8-10H,3,6-7,17H2,1H3,(H2,18,21,22,23)
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n/an/a 29n/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