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SMILES: COc1ccc2CN(C(=O)c2c1)c1nc(cs1)C(=O)Nc1cnc2ccccc2c1N1CCNCC1

InChI Key: InChIKey=VLYMYJMHIBLBFT-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50433492   
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))		BDBM50433492
PNG
(CHEMBL2381227)
Show SMILES COc1ccc2CN(C(=O)c2c1)c1nc(cs1)C(=O)Nc1cnc2ccccc2c1N1CCNCC1
Show InChI InChI=1S/C26H24N6O3S/c1-35-17-7-6-16-14-32(25(34)19(16)12-17)26-30-22(15-36-26)24(33)29-21-13-28-20-5-3-2-4-18(20)23(21)31-10-8-27-9-11-31/h2-7,12-13,15,27H,8-11,14H2,1H3,(H,29,33)
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Article
PubMed
n/an/a 5.20E+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