Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'DNA gyrase subunit A/B' and Ligand = 'BDBM50497510'   

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)	BDBM50497510 (CHEMBL3344037) Show SMILES OC(=O)CSCC(=O)Nc1ccc(cc1)-c1nc2cc(F)ccc2[nH]1 Show InChI InChI=1S/C17H14FN3O3S/c18-11-3-6-13-14(7-11)21-17(20-13)10-1-4-12(5-2-10)19-15(22)8-25-9-16(23)24/h1-7H,8-9H2,(H,19,22)(H,20,21)(H,23,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Birla Institute of Technology & Science-Pilani Curated by ChEMBL					Assay Description Inhibition of Staphylococcus aureus DNA gyrase-mediated supercoiling of relaxed DNA using pBR 322 as substrate by agarose gel electrophoresis analysi...				Bioorg Med Chem 22: 5970-87 (2014) Article DOI: 10.1016/j.bmc.2014.09.008 BindingDB Entry DOI: 10.7270/Q23X89MP
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