Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Serine/threonine-protein kinase Chk1' and Ligand = 'BDBM50433494'   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50433494 (CHEMBL2381225) Show SMILES COc1ccc2CN(C(=O)c2c1)c1nc(cs1)C(=O)Nc1cncnc1N1CCNCC1 Show InChI InChI=1S/C21H21N7O3S/c1-31-14-3-2-13-10-28(20(30)15(13)8-14)21-26-17(11-32-21)19(29)25-16-9-23-12-24-18(16)27-6-4-22-5-7-27/h2-3,8-9,11-12,22H,4-7,10H2,1H3,(H,25,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	46	n/a	n/a	n/a	n/a	n/a	n/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
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