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SMILES: Cn1nc(cc1Nc1nc(cs1)C(=O)Nc1ccccc1N1CCNCC1)-c1ccccc1

InChI Key: InChIKey=KYAQWTUQMURQQX-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50433502   
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))		BDBM50433502
PNG
(CHEMBL2381103)
Show SMILES Cn1nc(cc1Nc1nc(cs1)C(=O)Nc1ccccc1N1CCNCC1)-c1ccccc1
Show InChI InChI=1S/C24H25N7OS/c1-30-22(15-19(29-30)17-7-3-2-4-8-17)28-24-27-20(16-33-24)23(32)26-18-9-5-6-10-21(18)31-13-11-25-12-14-31/h2-10,15-16,25H,11-14H2,1H3,(H,26,32)(H,27,28)
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Article
PubMed
n/an/a 4.50E+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