Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'DNA ligase' and Ligand = 'BDBM50395800'   

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 (Staphylococcus aureus)	BDBM50395800 (CHEMBL2165174) Show SMILES Nc1cc(n[nH]c1=O)-c1nc2ccccc2[nH]1 Show InChI InChI=1S/C11H9N5O/c12-6-5-9(15-16-11(6)17)10-13-7-3-1-2-4-8(7)14-10/h1-5H,(H2,12,15)(H,13,14)(H,16,17)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Actelion Pharmaceuticals Ltd Curated by ChEMBL					Assay Description Inhibition of Staphylococcus aureus NAD-dependent DNA ligase				Bioorg Med Chem Lett 22: 6705-11 (2012) Article DOI: 10.1016/j.bmcl.2012.08.094 BindingDB Entry DOI: 10.7270/Q27W6D91
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