Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'DNA ligase 1' and Ligand = 'BDBM23129'   

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))	BDBM23129 (7-hydroxy-7-phenyl-1-[5-(pyridin-2-yl)-1,3-oxazol-...) Show SMILES OC(CCCCCC(=O)c1ncc(o1)-c1ccccn1)c1ccccc1 Show InChI InChI=1S/C21H22N2O3/c24-18(16-9-3-1-4-10-16)12-5-2-6-13-19(25)21-23-15-20(26-21)17-11-7-8-14-22-17/h1,3-4,7-11,14-15,18,24H,2,5-6,12-13H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	35	-42.6	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
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