Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'DNA gyrase subunit B' and Ligand = 'BDBM50047321'   

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)	BDBM50047321 (CHEMBL3314530) Show SMILES CCO[C@H]1CN(CC[C@H]1NC(=O)c1[nH]c(C)c(Cl)c1Cl)c1ncc(s1)C(O)=O |r| Show InChI InChI=1S/C17H20Cl2N4O4S/c1-3-27-10-7-23(17-20-6-11(28-17)16(25)26)5-4-9(10)22-15(24)14-13(19)12(18)8(2)21-14/h6,9-10,21H,3-5,7H2,1-2H3,(H,22,24)(H,25,26)/t9-,10+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of ATPase activity of Staphylococcus aureus GyrB				J Med Chem 57: 6060-82 (2014) Article DOI: 10.1021/jm500462x BindingDB Entry DOI: 10.7270/Q24J0GR1
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