Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'DNA gyrase subunit A/B' and Ligand = 'BDBM50178918'   

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 (Escherichia coli (strain K12))	BDBM50178918 (9-cyclopropyl-6-fluoro-7-(3-(hydroxymethyl)phenyl)...) Show SMILES OCc1cccc(c1)-c1cc2n(C3CC3)c3s[nH]c(=O)c3c(=O)c2cc1F Show InChI InChI=1S/C20H15FN2O3S/c21-15-7-14-16(8-13(15)11-3-1-2-10(6-11)9-24)23(12-4-5-12)20-17(18(14)25)19(26)22-27-20/h1-3,6-8,12,24H,4-5,9H2,(H,22,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
Achillion Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibitory activity against wild type Escherichia coli gyrase				Bioorg Med Chem Lett 16: 1272-6 (2006) Article DOI: 10.1016/j.bmcl.2005.11.065 BindingDB Entry DOI: 10.7270/Q22R3R76
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