Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Co-chaperonin GroES' and Ligand = 'BDBM50501220'   

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)	BDBM50501220 (CHEMBL3975456) Show SMILES O=S(=O)(Nc1ccc(cc1)-c1nc2cc(NS(=O)(=O)c3cccs3)ccc2o1)c1cccs1 Show InChI InChI=1S/C21H15N3O5S4/c25-32(26,19-3-1-11-30-19)23-15-7-5-14(6-8-15)21-22-17-13-16(9-10-18(17)29-21)24-33(27,28)20-4-2-12-31-20/h1-13,23-24H	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Indiana University Curated by ChEMBL					Assay Description Inhibition of Escherichia coli GroEL/GroES expressed in Escherichia coli DH5alpha/BL21 (DE3) assessed as inhibition of denatured MDH refolding preinc...				Bioorg Med Chem Lett 26: 5247-5253 (2016) Article DOI: 10.1016/j.bmcl.2016.09.051 BindingDB Entry DOI: 10.7270/Q2WW7MRM
					More data for this Ligand-Target Pair
Co-chaperonin GroES (Escherichia coli)	BDBM50501220 (CHEMBL3975456) Show SMILES O=S(=O)(Nc1ccc(cc1)-c1nc2cc(NS(=O)(=O)c3cccs3)ccc2o1)c1cccs1 Show InChI InChI=1S/C21H15N3O5S4/c25-32(26,19-3-1-11-30-19)23-15-7-5-14(6-8-15)21-22-17-13-16(9-10-18(17)29-21)24-33(27,28)20-4-2-12-31-20/h1-13,23-24H	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.50E+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
					More data for this Ligand-Target Pair
Co-chaperonin GroES (Escherichia coli)	BDBM50501220 (CHEMBL3975456) Show SMILES O=S(=O)(Nc1ccc(cc1)-c1nc2cc(NS(=O)(=O)c3cccs3)ccc2o1)c1cccs1 Show InChI InChI=1S/C21H15N3O5S4/c25-32(26,19-3-1-11-30-19)23-15-7-5-14(6-8-15)21-22-17-13-16(9-10-18(17)29-21)24-33(27,28)20-4-2-12-31-20/h1-13,23-24H	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Indiana University Curated by ChEMBL					Assay Description Inhibition of Escherichia coli GroEL/GroES-ATPase activity expressed in Escherichia coli DH5alpha/BL21 (DE3) assessed as inhibition of denatured MDH ...				Bioorg Med Chem Lett 26: 5247-5253 (2016) Article DOI: 10.1016/j.bmcl.2016.09.051 BindingDB Entry DOI: 10.7270/Q2WW7MRM
					More data for this Ligand-Target Pair