Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'DNA gyrase subunit A/B' and Ligand = 'BDBM50223584'   

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))	BDBM50223584 (CHEMBL316496) Show SMILES COC(=O)C1CCN(Cc2n[nH]c3cccc(OCc4ccc(cc4)C(C)(C)C)c23)CC1 Show InChI InChI=1S/C26H33N3O3/c1-26(2,3)20-10-8-18(9-11-20)17-32-23-7-5-6-21-24(23)22(28-27-21)16-29-14-12-19(13-15-29)25(30)31-4/h5-11,19H,12-17H2,1-4H3,(H,27,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	3.67E+4	n/a	n/a	n/a	n/a	n/a	n/a
Dainippon Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Inhibitory activity against Escherichia coli DNA gyrase				Bioorg Med Chem Lett 14: 2857-62 (2004) BindingDB Entry DOI: 10.7270/Q2HH6N85
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