Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'DNA gyrase subunit A/B' and Ligand = 'BDBM50497466'   

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)	BDBM50497466 (CHEMBL3344022) Show SMILES COC(=O)CCCC(=O)Nc1ccc(cc1)-c1nc2cc(ccc2[nH]1)[N+]([O-])=O Show InChI InChI=1S/C19H18N4O5/c1-28-18(25)4-2-3-17(24)20-13-7-5-12(6-8-13)19-21-15-10-9-14(23(26)27)11-16(15)22-19/h5-11H,2-4H2,1H3,(H,20,24)(H,21,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.30E+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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