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SMILES: OCCCNc1cc(Nc2cnc(cn2)C#N)ncn1

InChI Key: InChIKey=ZUGDWJGRIAYNMN-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50359821   
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))		BDBM50359821
PNG
(CHEMBL1928690)
Show SMILES OCCCNc1cc(Nc2cnc(cn2)C#N)ncn1
Show InChI InChI=1S/C12H13N7O/c13-5-9-6-16-12(7-15-9)19-11-4-10(17-8-18-11)14-2-1-3-20/h4,6-8,20H,1-3H2,(H2,14,16,17,18,19)
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Article
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n/an/a 1.80E+3n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Competitive inhibition of human CHK1 using ATP as substrate by DELFIA

J Med Chem 54: 8328-42 (2011)


Article DOI: 10.1021/jm2007326
BindingDB Entry DOI: 10.7270/Q2GH9JDJ
More data for this
Ligand-Target Pair		3D
3D Structure (docked)