Compile Data Set for Download or QSAR

Found 7 hits Enz. Inhib. hit(s) with Target = 'Co-chaperonin GroES' and Ligand = 'BDBM50495816'   

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)	BDBM50495816 (CHEMBL3116088) Show SMILES COc1cc(\C=C2\C(=N)N3N=C(CC(C)C)SC3=NC2=O)ccc1OC(=O)c1ccc(F)cc1 |c:18,t:10| Show InChI InChI=1S/C24H21FN4O4S/c1-13(2)10-20-28-29-21(26)17(22(30)27-24(29)34-20)11-14-4-9-18(19(12-14)32-3)33-23(31)15-5-7-16(25)8-6-15/h4-9,11-13,26H,10H2,1-3H3/b17-11-,26-21?	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.40E+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 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)	BDBM50495816 (CHEMBL3116088) Show SMILES COc1cc(\C=C2\C(=N)N3N=C(CC(C)C)SC3=NC2=O)ccc1OC(=O)c1ccc(F)cc1 |c:18,t:10| Show InChI InChI=1S/C24H21FN4O4S/c1-13(2)10-20-28-29-21(26)17(22(30)27-24(29)34-20)11-14-4-9-18(19(12-14)32-3)33-23(31)15-5-7-16(25)8-6-15/h4-9,11-13,26H,10H2,1-3H3/b17-11-,26-21?	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.50E+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 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)	BDBM50495816 (CHEMBL3116088) Show SMILES COc1cc(\C=C2\C(=N)N3N=C(CC(C)C)SC3=NC2=O)ccc1OC(=O)c1ccc(F)cc1 |c:18,t:10| Show InChI InChI=1S/C24H21FN4O4S/c1-13(2)10-20-28-29-21(26)17(22(30)27-24(29)34-20)11-14-4-9-18(19(12-14)32-3)33-23(31)15-5-7-16(25)8-6-15/h4-9,11-13,26H,10H2,1-3H3/b17-11-,26-21?	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase 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)	BDBM50495816 (CHEMBL3116088) Show SMILES COc1cc(\C=C2\C(=N)N3N=C(CC(C)C)SC3=NC2=O)ccc1OC(=O)c1ccc(F)cc1 |c:18,t:10| Show InChI InChI=1S/C24H21FN4O4S/c1-13(2)10-20-28-29-21(26)17(22(30)27-24(29)34-20)11-14-4-9-18(19(12-14)32-3)33-23(31)15-5-7-16(25)8-6-15/h4-9,11-13,26H,10H2,1-3H3/b17-11-,26-21?	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+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
Co-chaperonin GroES (Escherichia coli)	BDBM50495816 (CHEMBL3116088) Show SMILES COc1cc(\C=C2\C(=N)N3N=C(CC(C)C)SC3=NC2=O)ccc1OC(=O)c1ccc(F)cc1 |c:18,t:10| Show InChI InChI=1S/C24H21FN4O4S/c1-13(2)10-20-28-29-21(26)17(22(30)27-24(29)34-20)11-14-4-9-18(19(12-14)32-3)33-23(31)15-5-7-16(25)8-6-15/h4-9,11-13,26H,10H2,1-3H3/b17-11-,26-21?	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+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 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)	BDBM50495816 (CHEMBL3116088) Show SMILES COc1cc(\C=C2\C(=N)N3N=C(CC(C)C)SC3=NC2=O)ccc1OC(=O)c1ccc(F)cc1 |c:18,t:10| Show InChI InChI=1S/C24H21FN4O4S/c1-13(2)10-20-28-29-21(26)17(22(30)27-24(29)34-20)11-14-4-9-18(19(12-14)32-3)33-23(31)15-5-7-16(25)8-6-15/h4-9,11-13,26H,10H2,1-3H3/b17-11-,26-21?	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase 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
Co-chaperonin GroES (Escherichia coli)	BDBM50495816 (CHEMBL3116088) Show SMILES COc1cc(\C=C2\C(=N)N3N=C(CC(C)C)SC3=NC2=O)ccc1OC(=O)c1ccc(F)cc1 |c:18,t:10| Show InChI InChI=1S/C24H21FN4O4S/c1-13(2)10-20-28-29-21(26)17(22(30)27-24(29)34-20)11-14-4-9-18(19(12-14)32-3)33-23(31)15-5-7-16(25)8-6-15/h4-9,11-13,26H,10H2,1-3H3/b17-11-,26-21?	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase 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 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