Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'DNA ligase 1' and Ligand = 'BDBM23116'   

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))	BDBM23116 (6-[methyl(phenyl)amino]-1-[5-(pyridin-2-yl)-1,3-ox...) Show SMILES CN(CCCCCC(=O)c1ncc(o1)-c1ccccn1)c1ccccc1 Show InChI InChI=1S/C21H23N3O2/c1-24(17-10-4-2-5-11-17)15-9-3-6-13-19(25)21-23-16-20(26-21)18-12-7-8-14-22-18/h2,4-5,7-8,10-12,14,16H,3,6,9,13,15H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	40	-42.2	n/a	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
					More data for this Ligand-Target Pair