Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'DNA gyrase subunit B' and Ligand = 'BDBM50037086'   

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)	BDBM50037086 (CHEMBL3355795) Show SMILES CCOC(=O)c1cc2cc(ccc2o1)N1CCN(CC1)C(=S)NCc1ccc(Cl)cc1 Show InChI InChI=1S/C23H24ClN3O3S/c1-2-29-22(28)21-14-17-13-19(7-8-20(17)30-21)26-9-11-27(12-10-26)23(31)25-15-16-3-5-18(24)6-4-16/h3-8,13-14H,2,9-12,15H2,1H3,(H,25,31)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.99E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of purified Mycobacterium smegmatis GyrB at 50 to 100 uM after 100 mins by ATPase assay				Bioorg Med Chem 22: 6552-63 (2015) Article DOI: 10.1016/j.bmc.2014.10.016 BindingDB Entry DOI: 10.7270/Q2D50PJH
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