Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'DNA gyrase subunit A/B' and Ligand = 'BDBM50440312'   

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 gyrase subunit A/B (Staphylococcus aureus)	BDBM50440312 (CHEMBL2424891) Show SMILES COc1cnc2cccc([C@@H](O)[C@H](O)[C@@H]3CC[C@H](CO3)NCc3ccc4SCC(=O)Nc4n3)c2c1 |r| Show InChI InChI=1S/C25H28N4O5S/c1-33-16-9-18-17(3-2-4-19(18)27-11-16)23(31)24(32)20-7-5-15(12-34-20)26-10-14-6-8-21-25(28-14)29-22(30)13-35-21/h2-4,6,8-9,11,15,20,23-24,26,31-32H,5,7,10,12-13H2,1H3,(H,28,29,30)/t15-,20+,23-,24-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	125	n/a	n/a	n/a	n/a	n/a	n/a
Actelion Pharmaceuticals Ltd Curated by ChEMBL					Assay Description Inhibition of wild type Staphylococcus aureus DNA gyrase subunit 2GyrA/2GyrB assessed as pBR322 supercoiling after 1 hr				J Med Chem 56: 7396-415 (2013) Article DOI: 10.1021/jm400963y BindingDB Entry DOI: 10.7270/Q2HT2QRV
					More data for this Ligand-Target Pair