Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'DNA ligase 1' and Ligand = 'BDBM23065'   

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
DNA ligase 1 (Homo sapiens (Human))	BDBM23065 (7-(3-methanesulfonylphenyl)-1-[5-(pyridin-2-yl)-1,...) Show SMILES CS(=O)(=O)c1cccc(CCCCCCC(=O)c2ncc(o2)-c2ccccn2)c1 Show InChI InChI=1S/C22H24N2O4S/c1-29(26,27)18-11-8-10-17(15-18)9-4-2-3-5-13-20(25)22-24-16-21(28-22)19-12-6-7-14-23-19/h6-8,10-12,14-16H,2-5,9,13H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	1.30	-50.7	4	n/a	n/a	n/a	n/a	n/a	25
The Scripps Research Institute					Assay Description The inhibition assays were performed by incubating enzyme, 14C-labeled oleamide in reaction buffer at room temperature in the presence of three diffe...				J Med Chem 50: 3359-68 (2007) Article DOI: 10.1021/jm061414r BindingDB Entry DOI: 10.7270/Q2DR2SSH
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