Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Co-chaperonin GroES' and Ligand = 'BDBM50522559'   

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
Co-chaperonin GroES (Escherichia coli)	BDBM50522559 (CHEMBL4463085) Show SMILES Clc1ccc(s1)S(=O)(=O)Nc1ccc(cc1)-c1nc2cc(NS(=O)(=O)c3cccs3)ccc2o1 Show InChI InChI=1S/C21H14ClN3O5S4/c22-18-9-10-20(32-18)34(28,29)24-14-5-3-13(4-6-14)21-23-16-12-15(7-8-17(16)30-21)25-33(26,27)19-2-1-11-31-19/h1-12,24-25H	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Indiana University School of Medicine Curated by ChEMBL					Assay Description Inhibition of Escherichia coli GroEL expressed in Escherichia coliDH5alpha/Escherichia coli GroES expressed in Escherichia coli BL21 (DE3) assessed a...				Bioorg Med Chem Lett 29: 1665-1672 (2019) Article DOI: 10.1016/j.bmcl.2019.04.034 BindingDB Entry DOI: 10.7270/Q2MG7SWV
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