Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'DNA gyrase subunit B' and Ligand = 'BDBM50126838'   

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 (Mycobacterium smegmatis)	BDBM50126838 (CHEMBL3628350) Show SMILES CCOC(=O)c1cnc2ccc(cc2c1Nc1ccc(OCCCN2CCOCC2)cc1)C(F)(F)F Show InChI InChI=1S/C26H28F3N3O4/c1-2-35-25(33)22-17-30-23-9-4-18(26(27,28)29)16-21(23)24(22)31-19-5-7-20(8-6-19)36-13-3-10-32-11-14-34-15-12-32/h4-9,16-17H,2-3,10-15H2,1H3,(H,30,31)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.88E+4	n/a	n/a	n/a	n/a	n/a	n/a
Birla Institute of Technology&Science Curated by ChEMBL					Assay Description Inhibition of Mycobacterium smegmatis DNA gyrase B expressed in Escherichia coli BL21 (DE3) pLysS cells assessed as reduction in ATPase activity incu...				Eur J Med Chem 103: 1-16 (2015) Article DOI: 10.1016/j.ejmech.2015.06.032 BindingDB Entry DOI: 10.7270/Q2KS6TBH
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