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SMILES: Cc1ncc2CN(Cc2n1)c1nc(cs1)C(=O)Nc1ccccc1N1CCNCC1

InChI Key: InChIKey=HWRQLNDQFOSMIO-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50433508   
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))		BDBM50433508
PNG
(CHEMBL2381241)
Show SMILES Cc1ncc2CN(Cc2n1)c1nc(cs1)C(=O)Nc1ccccc1N1CCNCC1
Show InChI InChI=1S/C21H23N7OS/c1-14-23-10-15-11-28(12-17(15)24-14)21-26-18(13-30-21)20(29)25-16-4-2-3-5-19(16)27-8-6-22-7-9-27/h2-5,10,13,22H,6-9,11-12H2,1H3,(H,25,29)
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PC sid
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Article
PubMed
n/an/a 5.70E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of recombinant His-tagged CHK1 (unknown origin) expressed in baculovirus expression system using biotin-RSGLYRSPSMPENLNRPR as substrate af...

Bioorg Med Chem Lett 23: 2590-4 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.108
BindingDB Entry DOI: 10.7270/Q2125V19
More data for this
Ligand-Target Pair