Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'DNA gyrase subunit B' and Ligand = 'BDBM50202205'   

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)	BDBM50202205 (CHEMBL3940083) Show SMILES COc1ccc2c(ccnc2c1)N1CCN(CC(=O)NCc2ccccn2)CC1 Show InChI InChI=1S/C22H25N5O2/c1-29-18-5-6-19-20(14-18)24-9-7-21(19)27-12-10-26(11-13-27)16-22(28)25-15-17-4-2-3-8-23-17/h2-9,14H,10-13,15-16H2,1H3,(H,25,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.16E+4	n/a	n/a	n/a	n/a	n/a	n/a
Birla Institute of Technology& Science-Pilani Curated by ChEMBL					Assay Description Inhibition of Mycobacterium smegmatis 155 6His-tagged DNA gyrase B catalytic domain ATPase activity expressed in Escherichia coli BL21 (DE3) pLysS ce...				Eur J Med Chem 122: 216-231 (2016) Article DOI: 10.1016/j.ejmech.2016.06.042 BindingDB Entry DOI: 10.7270/Q2DB83TT
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