Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'DNA ligase' and Ligand = 'BDBM50131417'   

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)	BDBM50131417 (CHEMBL3632767) Show SMILES Nc1nc2nc(ncc2c(N)c1C#N)-c1ccccc1 Show InChI InChI=1S/C14H10N6/c15-6-9-11(16)10-7-18-13(8-4-2-1-3-5-8)20-14(10)19-12(9)17/h1-5,7H,(H4,16,17,18,19,20)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	970	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