Compile Data Set for Download or QSAR

Found 7 hits Enz. Inhib. hit(s) with Target = 'Co-chaperonin GroES' and Ligand = 'BDBM50495812'   

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)	BDBM50495812 (CHEMBL3112623) Show SMILES Nc1ccc(Nc2nc(cs2)-c2ccc(O)c(O)c2)cc1 Show InChI InChI=1S/C15H13N3O2S/c16-10-2-4-11(5-3-10)17-15-18-12(8-21-15)9-1-6-13(19)14(20)7-9/h1-8,19-20H,16H2,(H,17,18)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.70E+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 using Escherichia coli GroEL expressed in Escherichia coli DH5alpha cells and Escherichia coli GroES expre...				Bioorg Med Chem Lett 26: 3127-3134 (2016) Article DOI: 10.1016/j.bmcl.2016.04.089 BindingDB Entry DOI: 10.7270/Q22J6FW2
					More data for this Ligand-Target Pair
Co-chaperonin GroES (Escherichia coli)	BDBM50495812 (CHEMBL3112623) Show SMILES Nc1ccc(Nc2nc(cs2)-c2ccc(O)c(O)c2)cc1 Show InChI InChI=1S/C15H13N3O2S/c16-10-2-4-11(5-3-10)17-15-18-12(8-21-15)9-1-6-13(19)14(20)7-9/h1-8,19-20H,16H2,(H,17,18)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.70E+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 using Escherichia coli GroEL expressed in Escherichia coli DH5alpha cells and Escherichia coli GroES expre...				Bioorg Med Chem Lett 26: 3127-3134 (2016) Article DOI: 10.1016/j.bmcl.2016.04.089 BindingDB Entry DOI: 10.7270/Q22J6FW2
					More data for this Ligand-Target Pair
Co-chaperonin GroES (Escherichia coli)	BDBM50495812 (CHEMBL3112623) Show SMILES Nc1ccc(Nc2nc(cs2)-c2ccc(O)c(O)c2)cc1 Show InChI InChI=1S/C15H13N3O2S/c16-10-2-4-11(5-3-10)17-15-18-12(8-21-15)9-1-6-13(19)14(20)7-9/h1-8,19-20H,16H2,(H,17,18)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.90E+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 24: 786-9 (2014) Article DOI: 10.1016/j.bmcl.2013.12.100 BindingDB Entry DOI: 10.7270/Q27D2Z3M
					More data for this Ligand-Target Pair
Co-chaperonin GroES (Escherichia coli)	BDBM50495812 (CHEMBL3112623) Show SMILES Nc1ccc(Nc2nc(cs2)-c2ccc(O)c(O)c2)cc1 Show InChI InChI=1S/C15H13N3O2S/c16-10-2-4-11(5-3-10)17-15-18-12(8-21-15)9-1-6-13(19)14(20)7-9/h1-8,19-20H,16H2,(H,17,18)	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 using Escherichia coli GroEL expressed in Escherichia coli DH5alpha cells and Escherichia coli GroES expre...				Bioorg Med Chem Lett 26: 3127-3134 (2016) Article DOI: 10.1016/j.bmcl.2016.04.089 BindingDB Entry DOI: 10.7270/Q22J6FW2
					More data for this Ligand-Target Pair
Co-chaperonin GroES (Escherichia coli)	BDBM50495812 (CHEMBL3112623) Show SMILES Nc1ccc(Nc2nc(cs2)-c2ccc(O)c(O)c2)cc1 Show InChI InChI=1S/C15H13N3O2S/c16-10-2-4-11(5-3-10)17-15-18-12(8-21-15)9-1-6-13(19)14(20)7-9/h1-8,19-20H,16H2,(H,17,18)	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-ATPase activity expressed in Escherichia coli DH5alpha/BL21 (DE3) assessed as inhibition of denatured MDH ...				Bioorg Med Chem Lett 24: 786-9 (2014) Article DOI: 10.1016/j.bmcl.2013.12.100 BindingDB Entry DOI: 10.7270/Q27D2Z3M
					More data for this Ligand-Target Pair
Co-chaperonin GroES (Escherichia coli)	BDBM50495812 (CHEMBL3112623) Show SMILES Nc1ccc(Nc2nc(cs2)-c2ccc(O)c(O)c2)cc1 Show InChI InChI=1S/C15H13N3O2S/c16-10-2-4-11(5-3-10)17-15-18-12(8-21-15)9-1-6-13(19)14(20)7-9/h1-8,19-20H,16H2,(H,17,18)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>6.25E+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 using Escherichia coli GroEL expressed in Escherichia coli DH5alpha cells and Escherichia coli GroES expre...				Bioorg Med Chem Lett 26: 3127-3134 (2016) Article DOI: 10.1016/j.bmcl.2016.04.089 BindingDB Entry DOI: 10.7270/Q22J6FW2
					More data for this Ligand-Target Pair
Co-chaperonin GroES (Escherichia coli)	BDBM50495812 (CHEMBL3112623) Show SMILES Nc1ccc(Nc2nc(cs2)-c2ccc(O)c(O)c2)cc1 Show InChI InChI=1S/C15H13N3O2S/c16-10-2-4-11(5-3-10)17-15-18-12(8-21-15)9-1-6-13(19)14(20)7-9/h1-8,19-20H,16H2,(H,17,18)	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 using Escherichia coli GroEL expressed in Escherichia coli DH5alpha cells and Escherichia coli GroES expre...				Bioorg Med Chem Lett 26: 3127-3134 (2016) Article DOI: 10.1016/j.bmcl.2016.04.089 BindingDB Entry DOI: 10.7270/Q22J6FW2
					More data for this Ligand-Target Pair