Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'DNA gyrase subunit B' and Ligand = 'BDBM50046994'   

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)	BDBM50046994 (CHEMBL3314547) Show SMILES Cc1[nH]c(C(=O)N[C@@H]2CCN(C[C@]22OCC3(CC3)CO2)c2ncc(s2)C(O)=O)c(Cl)c1Cl |r| Show InChI InChI=1S/C20H22Cl2N4O5S/c1-10-13(21)14(22)15(24-10)16(27)25-12-2-5-26(18-23-6-11(32-18)17(28)29)7-20(12)30-8-19(3-4-19)9-31-20/h6,12,24H,2-5,7-9H2,1H3,(H,25,27)(H,28,29)/t12-/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	<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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