Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'DNA gyrase subunit A/B' and Ligand = 'BDBM50266366'   

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)	BDBM50266366 (CHEMBL4091200) Show SMILES CCNC(=O)Nc1cc2c(ccc(COC(=O)N[C@@H]3CCNC[C@H]3F)c2cn1)-c1ccnc(C)c1 |r| Show InChI InChI=1S/C25H29FN6O3/c1-3-28-24(33)32-23-11-19-18(16-6-9-29-15(2)10-16)5-4-17(20(19)12-30-23)14-35-25(34)31-22-7-8-27-13-21(22)26/h4-6,9-12,21-22,27H,3,7-8,13-14H2,1-2H3,(H,31,34)(H2,28,30,32,33)/t21-,22-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Actelion Pharmaceuticals Ltd. Curated by ChEMBL					Assay Description Inhibition of Staphylococcus aureus N-terminal His6-tagged DNA gyrase subunit GyrA/GyrB supercoiling activity expressed in Escherichia coli BL21 (DE3...				J Med Chem 60: 3755-3775 (2017) Article DOI: 10.1021/acs.jmedchem.6b01834 BindingDB Entry DOI: 10.7270/Q2SQ92VF
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