Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'DNA ligase 1' and Ligand = 'BDBM23051'   

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))	BDBM23051 (7-(4-nitrophenyl)-1-[5-(pyridin-2-yl)-1,3-oxazol-2...) Show SMILES [O-][N+](=O)c1ccc(CCCCCCC(=O)c2ncc(o2)-c2ccccn2)cc1 Show InChI InChI=1S/C21H21N3O4/c25-19(21-23-15-20(28-21)18-8-5-6-14-22-18)9-4-2-1-3-7-16-10-12-17(13-11-16)24(26)27/h5-6,8,10-15H,1-4,7,9H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	6.5	-46.3	0.5	n/a	n/a	n/a	n/a	9.0	22
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