Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Serine/threonine-protein kinase Chk1' and Ligand = 'BDBM14630'   

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))	BDBM14630 (1-{5-chloro-4-[2-(dimethylamino)ethoxy]-2-(pyrroli...) Show SMILES CN(C)CCOc1cc(N2CCCC2)c(NC(=O)Nc2cnc(cn2)C#N)cc1Cl Show InChI InChI=1S/C20H24ClN7O2/c1-27(2)7-8-30-18-10-17(28-5-3-4-6-28)16(9-15(18)21)25-20(29)26-19-13-23-14(11-22)12-24-19/h9-10,12-13H,3-8H2,1-2H3,(H2,24,25,26,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	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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