Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'DNA ligase 1' and Ligand = 'BDBM23037'   

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))	BDBM23037 (7-(4-methylphenyl)-1-[5-(pyridin-2-yl)-1,3-oxazol-...) Show SMILES Cc1ccc(CCCCCCC(=O)c2ncc(o2)-c2ccccn2)cc1 Show InChI InChI=1S/C22H24N2O2/c1-17-11-13-18(14-12-17)8-4-2-3-5-10-20(25)22-24-16-21(26-22)19-9-6-7-15-23-19/h6-7,9,11-16H,2-5,8,10H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	2.80	-48.3	40	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
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