Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Co-chaperonin GroES' and Ligand = 'BDBM50501247'   

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)	BDBM50501247 (CHEMBL3934460) Show SMILES O=S(=O)(Nc1ccc(cc1)-c1nc2cc(NS(=O)(=O)c3cccc4ccccc34)ccc2o1)c1cccc2ccccc12 Show InChI InChI=1S/C33H23N3O5S2/c37-42(38,31-13-5-9-22-7-1-3-11-27(22)31)35-25-17-15-24(16-18-25)33-34-29-21-26(19-20-30(29)41-33)36-43(39,40)32-14-6-10-23-8-2-4-12-28(23)32/h1-21,35-36H	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.30E+4	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)	BDBM50501247 (CHEMBL3934460) Show SMILES O=S(=O)(Nc1ccc(cc1)-c1nc2cc(NS(=O)(=O)c3cccc4ccccc34)ccc2o1)c1cccc2ccccc12 Show InChI InChI=1S/C33H23N3O5S2/c37-42(38,31-13-5-9-22-7-1-3-11-27(22)31)35-25-17-15-24(16-18-25)33-34-29-21-26(19-20-30(29)41-33)36-43(39,40)32-14-6-10-23-8-2-4-12-28(23)32/h1-21,35-36H	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Escherichia coli GroEL/ES-mediated refolding of the denatured rhodanese				Citation and Details Article DOI: 10.1016/j.bmc.2021.116129 BindingDB Entry DOI: 10.7270/Q2DF6W19
					More data for this Ligand-Target Pair
Co-chaperonin GroES (Escherichia coli)	BDBM50501247 (CHEMBL3934460) Show SMILES O=S(=O)(Nc1ccc(cc1)-c1nc2cc(NS(=O)(=O)c3cccc4ccccc34)ccc2o1)c1cccc2ccccc12 Show InChI InChI=1S/C33H23N3O5S2/c37-42(38,31-13-5-9-22-7-1-3-11-27(22)31)35-25-17-15-24(16-18-25)33-34-29-21-26(19-20-30(29)41-33)36-43(39,40)32-14-6-10-23-8-2-4-12-28(23)32/h1-21,35-36H	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Escherichia coli GroEL/ES-mediated refolding of the denatured malate dehydrogenase				Citation and Details Article DOI: 10.1016/j.bmc.2021.116129 BindingDB Entry DOI: 10.7270/Q2DF6W19
					More data for this Ligand-Target Pair
Co-chaperonin GroES (Escherichia coli)	BDBM50501247 (CHEMBL3934460) Show SMILES O=S(=O)(Nc1ccc(cc1)-c1nc2cc(NS(=O)(=O)c3cccc4ccccc34)ccc2o1)c1cccc2ccccc12 Show InChI InChI=1S/C33H23N3O5S2/c37-42(38,31-13-5-9-22-7-1-3-11-27(22)31)35-25-17-15-24(16-18-25)33-34-29-21-26(19-20-30(29)41-33)36-43(39,40)32-14-6-10-23-8-2-4-12-28(23)32/h1-21,35-36H	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.40E+4	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