Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Serine/threonine-protein kinase Chk1' and Ligand = 'BDBM50218728'   

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))	BDBM50218728 (3-(3-methoxy-4-nitrophenyl)-6-(pyridin-4-ylmethoxy...) Show SMILES COc1cc(ccc1N)-c1ccc2c(Nc3c(NC2=O)cccc3OCc2ccncc2)c1 Show InChI InChI=1S/C26H22N4O3/c1-32-24-14-18(6-8-20(24)27)17-5-7-19-22(13-17)29-25-21(30-26(19)31)3-2-4-23(25)33-15-16-9-11-28-12-10-16/h2-14,29H,15,27H2,1H3,(H,30,31)	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	104	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of human recombinant Chk1				J Med Chem 50: 4162-76 (2007) Article DOI: 10.1021/jm070105d BindingDB Entry DOI: 10.7270/Q22J6BKS
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