Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'DNA ligase' and Ligand = 'BDBM50131481'   

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)	BDBM50131481 (CHEMBL3632786) Show SMILES CCOC(=O)c1cnc(s1)-c1nc(nc2nc(N)c(C#N)c(N)c12)C(C)(C)C Show InChI InChI=1S/C18H19N7O2S/c1-5-27-16(26)9-7-22-15(28-9)12-10-11(20)8(6-19)13(21)24-14(10)25-17(23-12)18(2,3)4/h7H,5H2,1-4H3,(H4,20,21,23,24,25)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of Staphylococcus aureus NAD(+)-dependent DNA ligase				Bioorg Med Chem Lett 25: 5172-7 (2015) Article DOI: 10.1016/j.bmcl.2015.09.075 BindingDB Entry DOI: 10.7270/Q2KD20RN
					More data for this Ligand-Target Pair