Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'DNA gyrase subunit A/B' and Ligand = 'BDBM50180009'   

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))	BDBM50180009 (7-(2,6-dimethylpyridin-4-yl)-9-ethyl-1-thia-2,4a-d...) Show SMILES CCc1c2s[nH]c(=O)c2c(=O)n2ccc(cc12)-c1cc(C)nc(C)c1 Show InChI InChI=1S/C19H17N3O2S/c1-4-14-15-9-12(13-7-10(2)20-11(3)8-13)5-6-22(15)19(24)16-17(14)25-21-18(16)23/h5-9H,4H2,1-3H3,(H,21,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
Achillion Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of DNA gyrase supercoiling in Escherichia coli ATCC 25922				J Med Chem 49: 39-42 (2006) Article DOI: 10.1021/jm051066d BindingDB Entry DOI: 10.7270/Q24B30W3
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