Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'DNA gyrase subunit B' and Ligand = 'BDBM50497511'   

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 B (Staphylococcus aureus)	BDBM50497511 (CHEMBL3344041) Show SMILES COc1ccc2[nH]c(nc2c1)-c1ccc(NC(=O)COCC(O)=O)cc1 Show InChI InChI=1S/C18H17N3O5/c1-25-13-6-7-14-15(8-13)21-18(20-14)11-2-4-12(5-3-11)19-16(22)9-26-10-17(23)24/h2-8H,9-10H2,1H3,(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	4.34E+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 B ATPase activity				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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