Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'DNA ligase 1' and Ligand = 'BDBM23069'   

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))	BDBM23069 (3-[4-(benzyloxy)phenyl]-1-[5-(pyridin-2-yl)-1,3-ox...) Show SMILES O=C(CCc1ccc(OCc2ccccc2)cc1)c1ncc(o1)-c1ccccn1 Show InChI InChI=1S/C24H20N2O3/c27-22(24-26-16-23(29-24)21-8-4-5-15-25-21)14-11-18-9-12-20(13-10-18)28-17-19-6-2-1-3-7-19/h1-10,12-13,15-16H,11,14,17H2	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	1	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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