Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'DNA ligase 1' and Ligand = 'BDBM23136'   

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))	BDBM23136 (7-phenyl-1-[5-(pyridin-2-yl)-1,3-oxazol-2-yl]hepta...) Show SMILES O=C(CCCCc1ccccc1)CC(=O)c1ncc(o1)-c1ccccn1 Show InChI InChI=1S/C21H20N2O3/c24-17(11-5-4-10-16-8-2-1-3-9-16)14-19(25)21-23-15-20(26-21)18-12-6-7-13-22-18/h1-3,6-9,12-13,15H,4-5,10-11,14H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	>2.00E+3	>-32.5	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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