Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Co-chaperonin GroES' and Ligand = 'BDBM50501224'   

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)	BDBM50501224 (CHEMBL3908434) Show SMILES FC(F)(F)c1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)-c1nc2cc(NS(=O)(=O)c3ccc(cc3)C(F)(F)F)ccc2o1 Show InChI InChI=1S/C27H17F6N3O5S2/c28-26(29,30)17-3-10-21(11-4-17)42(37,38)35-19-7-1-16(2-8-19)25-34-23-15-20(9-14-24(23)41-25)36-43(39,40)22-12-5-18(6-13-22)27(31,32)33/h1-15,35-36H	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.90E+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)	BDBM50501224 (CHEMBL3908434) Show SMILES FC(F)(F)c1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)-c1nc2cc(NS(=O)(=O)c3ccc(cc3)C(F)(F)F)ccc2o1 Show InChI InChI=1S/C27H17F6N3O5S2/c28-26(29,30)17-3-10-21(11-4-17)42(37,38)35-19-7-1-16(2-8-19)25-34-23-15-20(9-14-24(23)41-25)36-43(39,40)22-12-5-18(6-13-22)27(31,32)33/h1-15,35-36H	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.40E+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)	BDBM50501224 (CHEMBL3908434) Show SMILES FC(F)(F)c1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)-c1nc2cc(NS(=O)(=O)c3ccc(cc3)C(F)(F)F)ccc2o1 Show InChI InChI=1S/C27H17F6N3O5S2/c28-26(29,30)17-3-10-21(11-4-17)42(37,38)35-19-7-1-16(2-8-19)25-34-23-15-20(9-14-24(23)41-25)36-43(39,40)22-12-5-18(6-13-22)27(31,32)33/h1-15,35-36H	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
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)	BDBM50501224 (CHEMBL3908434) Show SMILES FC(F)(F)c1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)-c1nc2cc(NS(=O)(=O)c3ccc(cc3)C(F)(F)F)ccc2o1 Show InChI InChI=1S/C27H17F6N3O5S2/c28-26(29,30)17-3-10-21(11-4-17)42(37,38)35-19-7-1-16(2-8-19)25-34-23-15-20(9-14-24(23)41-25)36-43(39,40)22-12-5-18(6-13-22)27(31,32)33/h1-15,35-36H	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>2.50E+5	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