Compile Data Set for Download or QSAR

Found 5 hits Enz. Inhib. hit(s) with Target = 'Co-chaperonin GroES' and Ligand = 'BDBM50501243'   

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)	BDBM50501243 (CHEMBL3903813) Show SMILES O=S(=O)(Nc1ccc(cc1)-c1nc2cc(NS(=O)(=O)c3ccccc3)ccc2o1)c1ccccc1 Show InChI InChI=1S/C25H19N3O5S2/c29-34(30,21-7-3-1-4-8-21)27-19-13-11-18(12-14-19)25-26-23-17-20(15-16-24(23)33-25)28-35(31,32)22-9-5-2-6-10-22/h1-17,27-28H	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.90E+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)	BDBM50501243 (CHEMBL3903813) Show SMILES O=S(=O)(Nc1ccc(cc1)-c1nc2cc(NS(=O)(=O)c3ccccc3)ccc2o1)c1ccccc1 Show InChI InChI=1S/C25H19N3O5S2/c29-34(30,21-7-3-1-4-8-21)27-19-13-11-18(12-14-19)25-26-23-17-20(15-16-24(23)33-25)28-35(31,32)22-9-5-2-6-10-22/h1-17,27-28H	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
					More data for this Ligand-Target Pair
Co-chaperonin GroES (Escherichia coli)	BDBM50501243 (CHEMBL3903813) Show SMILES O=S(=O)(Nc1ccc(cc1)-c1nc2cc(NS(=O)(=O)c3ccccc3)ccc2o1)c1ccccc1 Show InChI InChI=1S/C25H19N3O5S2/c29-34(30,21-7-3-1-4-8-21)27-19-13-11-18(12-14-19)25-26-23-17-20(15-16-24(23)33-25)28-35(31,32)22-9-5-2-6-10-22/h1-17,27-28H	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
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)	BDBM50501243 (CHEMBL3903813) Show SMILES O=S(=O)(Nc1ccc(cc1)-c1nc2cc(NS(=O)(=O)c3ccccc3)ccc2o1)c1ccccc1 Show InChI InChI=1S/C25H19N3O5S2/c29-34(30,21-7-3-1-4-8-21)27-19-13-11-18(12-14-19)25-26-23-17-20(15-16-24(23)33-25)28-35(31,32)22-9-5-2-6-10-22/h1-17,27-28H	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-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
Co-chaperonin GroES (Escherichia coli)	BDBM50501243 (CHEMBL3903813) Show SMILES O=S(=O)(Nc1ccc(cc1)-c1nc2cc(NS(=O)(=O)c3ccccc3)ccc2o1)c1ccccc1 Show InChI InChI=1S/C25H19N3O5S2/c29-34(30,21-7-3-1-4-8-21)27-19-13-11-18(12-14-19)25-26-23-17-20(15-16-24(23)33-25)28-35(31,32)22-9-5-2-6-10-22/h1-17,27-28H	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.80E+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