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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Serine/threonine-protein kinase Chk1' and Ligand = 'BDBM50433512'   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/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))		BDBM50433512
PNG
(CHEMBL2381236)
Show SMILES COc1cc2CCN(Cc2cc1OC)c1nc(cs1)C(=O)Nc1ccccc1N1CCNCC1
Show InChI InChI=1S/C25H29N5O3S/c1-32-22-13-17-7-10-30(15-18(17)14-23(22)33-2)25-28-20(16-34-25)24(31)27-19-5-3-4-6-21(19)29-11-8-26-9-12-29/h3-6,13-14,16,26H,7-12,15H2,1-2H3,(H,27,31)
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n/an/a 29n/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