Compile Data Set for Download or QSAR
Found 7 Enz. Inhib. hit(s) with Target = 'Co-chaperonin GroES' and Ligand = 'BDBM50495824'
TargetCo-chaperonin GroES(Escherichia coli)
Indiana University

Curated by ChEMBL
LigandPNGBDBM50495824(CHEMBL3115926)
Show SMILES COc1cccc(\C=C2\SC(=S)N(CCC(=O)Nc3ccc(O)cc3)C2=O)c1
Show InChI InChI=1S/C20H18N2O4S2/c1-26-16-4-2-3-13(11-16)12-17-19(25)22(20(27)28-17)10-9-18(24)21-14-5-7-15(23)8-6-14/h2-8,11-12,23H,9-10H2,1H3,(H,21,24)/b17-12+
Affinity DataIC50: 4.70E+3nMAssay Description:Inhibition of Escherichia coli GroEL/GroES using Escherichia coli GroEL expressed in Escherichia coli DH5alpha cells and Escherichia coli GroES expre...More data for this Ligand-Target Pair
TargetCo-chaperonin GroES(Escherichia coli)
Indiana University

Curated by ChEMBL
LigandPNGBDBM50495824(CHEMBL3115926)
Show SMILES COc1cccc(\C=C2\SC(=S)N(CCC(=O)Nc3ccc(O)cc3)C2=O)c1
Show InChI InChI=1S/C20H18N2O4S2/c1-26-16-4-2-3-13(11-16)12-17-19(25)22(20(27)28-17)10-9-18(24)21-14-5-7-15(23)8-6-14/h2-8,11-12,23H,9-10H2,1H3,(H,21,24)/b17-12+
Affinity DataIC50: 9.60E+3nMAssay Description:Inhibition of Escherichia coli GroEL/GroES using Escherichia coli GroEL expressed in Escherichia coli DH5alpha cells and Escherichia coli GroES expre...More data for this Ligand-Target Pair
TargetCo-chaperonin GroES(Escherichia coli)
Indiana University

Curated by ChEMBL
LigandPNGBDBM50495824(CHEMBL3115926)
Show SMILES COc1cccc(\C=C2\SC(=S)N(CCC(=O)Nc3ccc(O)cc3)C2=O)c1
Show InChI InChI=1S/C20H18N2O4S2/c1-26-16-4-2-3-13(11-16)12-17-19(25)22(20(27)28-17)10-9-18(24)21-14-5-7-15(23)8-6-14/h2-8,11-12,23H,9-10H2,1H3,(H,21,24)/b17-12+
Affinity DataIC50: 1.20E+4nMAssay Description:Inhibition of Escherichia coli GroEL/GroES using Escherichia coli GroEL expressed in Escherichia coli DH5alpha cells and Escherichia coli GroES expre...More data for this Ligand-Target Pair
TargetCo-chaperonin GroES(Escherichia coli)
Indiana University

Curated by ChEMBL
LigandPNGBDBM50495824(CHEMBL3115926)
Show SMILES COc1cccc(\C=C2\SC(=S)N(CCC(=O)Nc3ccc(O)cc3)C2=O)c1
Show InChI InChI=1S/C20H18N2O4S2/c1-26-16-4-2-3-13(11-16)12-17-19(25)22(20(27)28-17)10-9-18(24)21-14-5-7-15(23)8-6-14/h2-8,11-12,23H,9-10H2,1H3,(H,21,24)/b17-12+
Affinity DataIC50: 3.30E+4nMAssay Description:Inhibition of Escherichia coli GroEL/GroES expressed in Escherichia coli DH5alpha/BL21 (DE3) assessed as inhibition of denatured MDH refolding preinc...More data for this Ligand-Target Pair
TargetCo-chaperonin GroES(Escherichia coli)
Indiana University

Curated by ChEMBL
LigandPNGBDBM50495824(CHEMBL3115926)
Show SMILES COc1cccc(\C=C2\SC(=S)N(CCC(=O)Nc3ccc(O)cc3)C2=O)c1
Show InChI InChI=1S/C20H18N2O4S2/c1-26-16-4-2-3-13(11-16)12-17-19(25)22(20(27)28-17)10-9-18(24)21-14-5-7-15(23)8-6-14/h2-8,11-12,23H,9-10H2,1H3,(H,21,24)/b17-12+
Affinity DataIC50: 6.25E+4nMAssay Description:Inhibition of Escherichia coli GroEL/GroES using Escherichia coli GroEL expressed in Escherichia coli DH5alpha cells and Escherichia coli GroES expre...More data for this Ligand-Target Pair
TargetCo-chaperonin GroES(Escherichia coli)
Indiana University

Curated by ChEMBL
LigandPNGBDBM50495824(CHEMBL3115926)
Show SMILES COc1cccc(\C=C2\SC(=S)N(CCC(=O)Nc3ccc(O)cc3)C2=O)c1
Show InChI InChI=1S/C20H18N2O4S2/c1-26-16-4-2-3-13(11-16)12-17-19(25)22(20(27)28-17)10-9-18(24)21-14-5-7-15(23)8-6-14/h2-8,11-12,23H,9-10H2,1H3,(H,21,24)/b17-12+
Affinity DataIC50: 2.50E+5nMAssay Description:Inhibition of Escherichia coli GroEL/GroES-ATPase activity expressed in Escherichia coli DH5alpha/BL21 (DE3) assessed as inhibition of denatured MDH ...More data for this Ligand-Target Pair
TargetCo-chaperonin GroES(Escherichia coli)
Indiana University

Curated by ChEMBL
LigandPNGBDBM50495824(CHEMBL3115926)
Show SMILES COc1cccc(\C=C2\SC(=S)N(CCC(=O)Nc3ccc(O)cc3)C2=O)c1
Show InChI InChI=1S/C20H18N2O4S2/c1-26-16-4-2-3-13(11-16)12-17-19(25)22(20(27)28-17)10-9-18(24)21-14-5-7-15(23)8-6-14/h2-8,11-12,23H,9-10H2,1H3,(H,21,24)/b17-12+
Affinity DataIC50: 2.50E+5nMAssay Description:Inhibition of Escherichia coli GroEL/GroES using Escherichia coli GroEL expressed in Escherichia coli DH5alpha cells and Escherichia coli GroES expre...More data for this Ligand-Target Pair