Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Serine/threonine-protein kinase Chk1' and Ligand = 'BDBM14626'   

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))	BDBM14626 (N-(2-chloro-4-{[(5-cyanopyrazin-2-yl)carbamoyl]ami...) Show SMILES COc1cc(NC(=O)Cc2ccc(cc2)S(C)(=O)=O)c(Cl)cc1NC(=O)Nc1cnc(cn1)C#N Show InChI InChI=1S/C22H19ClN6O5S/c1-34-19-9-17(27-21(30)7-13-3-5-15(6-4-13)35(2,32)33)16(23)8-18(19)28-22(31)29-20-12-25-14(10-24)11-26-20/h3-6,8-9,11-12H,7H2,1-2H3,(H,27,30)(H2,26,28,29,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories					Assay Description Chk1 kinase activity was assayed in reaction buffer containing substrate, enzyme, and inhibitor in the presence of 5uM ATP/[gamma-33P] ATP. 33P incor...				Bioorg Med Chem Lett 16: 2293-8 (2006) Article DOI: 10.1016/j.bmcl.2006.01.028 BindingDB Entry DOI: 10.7270/Q26971TD
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