Compile Data Set for Download or QSAR
Found 22 Enz. Inhib. hit(s) with all data for assayid = 4 entry = 50006604
TargetCo-chaperonin GroES(Escherichia coli)
Indiana University

Curated by ChEMBL
LigandPNGBDBM42034(4-(3-nitro-4-oxidanyl-phenyl)-3a,4,5,9b-tetrahydro...)
Show SMILES OC(=O)c1cccc2C3C=CCC3C(Nc12)c1ccc(O)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C19H16N2O5/c22-16-8-7-10(9-15(16)21(25)26)17-12-4-1-3-11(12)13-5-2-6-14(19(23)24)18(13)20-17/h1-3,5-9,11-12,17,20,22H,4H2,(H,23,24)
Affinity DataIC50: 470nMAssay 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
LigandPNGBDBM50495801(CHEMBL3115911)
Show SMILES Oc1ccc(cc1)N1C(=S)S\C(=C/c2ccc(O)c(O)c2)C1=O
Show InChI InChI=1S/C16H11NO4S2/c18-11-4-2-10(3-5-11)17-15(21)14(23-16(17)22)8-9-1-6-12(19)13(20)7-9/h1-8,18-20H/b14-8-
Affinity DataIC50: 580nMAssay 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
LigandPNGBDBM50495814(CHEMBL3115914)
Show SMILES Oc1ccc(cc1O)C(=O)\C=C\c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C15H11NO5/c17-13(11-4-8-14(18)15(19)9-11)7-3-10-1-5-12(6-2-10)16(20)21/h1-9,18-19H/b7-3+
Affinity DataIC50: 830nMAssay 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
LigandPNGBDBM50495818(CHEMBL3115927)
Show SMILES CNC(=O)Oc1c(Br)cc2sc(=O)oc2c1Br
Show InChI InChI=1S/C9H5Br2NO4S/c1-12-8(13)15-6-3(10)2-4-7(5(6)11)16-9(14)17-4/h2H,1H3,(H,12,13)
Affinity DataIC50: 890nMAssay 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
LigandPNGBDBM50468089(CHEMBL1632145)
Show SMILES Oc1c(Br)cc(Br)cc1C(=O)Nc1ccc(Sc2nc3ccccc3s2)c(Cl)c1
Show InChI InChI=1S/C20H11Br2ClN2O2S2/c21-10-7-12(18(26)13(22)8-10)19(27)24-11-5-6-16(14(23)9-11)28-20-25-15-3-1-2-4-17(15)29-20/h1-9,26H,(H,24,27)
Affinity DataIC50: 1.40E+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
LigandPNGBDBM50495821(CHEMBL3115912)
Show SMILES [O-][N+](=O)c1cccc(\C=C\C(=O)c2ccc(NC(=O)c3ccco3)cc2)c1
Show InChI InChI=1S/C20H14N2O5/c23-18(11-6-14-3-1-4-17(13-14)22(25)26)15-7-9-16(10-8-15)21-20(24)19-5-2-12-27-19/h1-13H,(H,21,24)/b11-6+
Affinity DataIC50: 1.40E+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
LigandPNGBDBM50495812(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)
Affinity DataIC50: 1.70E+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
Ligand InfoPC cidPC sid
TargetCo-chaperonin GroES(Escherichia coli)
Indiana University

Curated by ChEMBL
LigandPNGBDBM50495819(CHEMBL3115924)
Show SMILES O=C(Nc1ccc(cc1)C(=O)\C=C\c1ccco1)c1cccs1
Show InChI InChI=1S/C18H13NO3S/c20-16(10-9-15-3-1-11-22-15)13-5-7-14(8-6-13)19-18(21)17-4-2-12-23-17/h1-12H,(H,19,21)/b10-9+
Affinity DataIC50: 2.30E+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
Ligand InfoPC cidPC sid
TargetCo-chaperonin GroES(Escherichia coli)
Indiana University

Curated by ChEMBL
LigandPNGBDBM50495808(CHEMBL1557710)
Show SMILES O=C(Nc1ccc2nc(-c3ccco3)c(nc2c1)-c1ccco1)N1CCCC1
Show InChI InChI=1S/C21H18N4O3/c26-21(25-9-1-2-10-25)22-14-7-8-15-16(13-14)24-20(18-6-4-12-28-18)19(23-15)17-5-3-11-27-17/h3-8,11-13H,1-2,9-10H2,(H,22,26)
Affinity DataIC50: 2.40E+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
Ligand InfoPC cidPC sid
TargetCo-chaperonin GroES(Escherichia coli)
Indiana University

Curated by ChEMBL
LigandPNGBDBM46188(1-[2,3-bis(2-furanyl)-6-quinoxalinyl]-3-methylurea...)
Show SMILES CNC(=O)Nc1ccc2nc(-c3ccco3)c(nc2c1)-c1ccco1
Show InChI InChI=1S/C18H14N4O3/c1-19-18(23)20-11-6-7-12-13(10-11)22-17(15-5-3-9-25-15)16(21-12)14-4-2-8-24-14/h2-10H,1H3,(H2,19,20,23)
Affinity DataIC50: 2.50E+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
LigandPNGBDBM46190(1-[2,3-bis(2-furanyl)-6-quinoxalinyl]-3-(2-hydroxy...)
Show SMILES OCCNC(=O)Nc1ccc2nc(-c3ccco3)c(nc2c1)-c1ccco1
Show InChI InChI=1S/C19H16N4O4/c24-8-7-20-19(25)21-12-5-6-13-14(11-12)23-18(16-4-2-10-27-16)17(22-13)15-3-1-9-26-15/h1-6,9-11,24H,7-8H2,(H2,20,21,25)
Affinity DataIC50: 2.60E+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
LigandPNGBDBM50495823(CHEMBL3115920)
Show SMILES COC(=O)c1ccc(cc1)-c1ccc(\C=C2\SC(=S)NC2=O)o1
Show InChI InChI=1S/C16H11NO4S2/c1-20-15(19)10-4-2-9(3-5-10)12-7-6-11(21-12)8-13-14(18)17-16(22)23-13/h2-8H,1H3,(H,17,18,22)/b13-8+
Affinity DataIC50: 3.00E+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
LigandPNGBDBM50495811(CHEMBL3115919)
Show SMILES Cn1c2ccccc2c(O)c(C(=O)Nc2ccncc2)c1=O
Show InChI InChI=1S/C16H13N3O3/c1-19-12-5-3-2-4-11(12)14(20)13(16(19)22)15(21)18-10-6-8-17-9-7-10/h2-9,20H,1H3,(H,17,18,21)
Affinity DataIC50: 6.80E+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
LigandPNGBDBM50495802(CHEMBL3116086)
Show SMILES [O-][N+](=O)c1cccc(NC(=O)CC2Nc3cccc4cccc(NC2=O)c34)c1
Show InChI InChI=1S/C20H16N4O4/c25-18(21-13-6-3-7-14(10-13)24(27)28)11-17-20(26)23-16-9-2-5-12-4-1-8-15(22-17)19(12)16/h1-10,17,22H,11H2,(H,21,25)(H,23,26)
Affinity DataIC50: 1.10E+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
LigandPNGBDBM50495806(CHEMBL3115929)
Show SMILES COc1ccc(cc1)C(=O)N\N=C\c1ccc(O)c2ncccc12
Show InChI InChI=1S/C18H15N3O3/c1-24-14-7-4-12(5-8-14)18(23)21-20-11-13-6-9-16(22)17-15(13)3-2-10-19-17/h2-11,22H,1H3,(H,21,23)/b20-11+
Affinity DataIC50: 1.80E+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
LigandPNGBDBM50495810(CHEMBL3115921)
Show SMILES [O-][N+](=O)c1c(Cl)c2ccccc2n(Cc2ccccc2)c1=O
Show InChI InChI=1S/C16H11ClN2O3/c17-14-12-8-4-5-9-13(12)18(16(20)15(14)19(21)22)10-11-6-2-1-3-7-11/h1-9H,10H2
Affinity DataIC50: 2.20E+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
LigandPNGBDBM50495816(CHEMBL3116088)
Show SMILES COc1cc(\C=C2\C(=N)N3N=C(CC(C)C)SC3=NC2=O)ccc1OC(=O)c1ccc(F)cc1
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?
Affinity DataIC50: 2.50E+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
LigandPNGBDBM50495807(CHEMBL3115928)
Show SMILES Oc1ccc(cc1NC(=O)c1ccc2C(=O)N(Cc3ccccc3)C(=O)c2c1)[N+]([O-])=O
Show InChI InChI=1S/C22H15N3O6/c26-19-9-7-15(25(30)31)11-18(19)23-20(27)14-6-8-16-17(10-14)22(29)24(21(16)28)12-13-4-2-1-3-5-13/h1-11,26H,12H2,(H,23,27)
Affinity DataIC50: 2.80E+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
LigandPNGBDBM50495815(CHEMBL3115908)
Show SMILES Cc1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)-c1nc2ccc(NS(=O)(=O)c3ccc(C)cc3)cc2[nH]1
Show InChI InChI=1S/C27H24N4O4S2/c1-18-3-12-23(13-4-18)36(32,33)30-21-9-7-20(8-10-21)27-28-25-16-11-22(17-26(25)29-27)31-37(34,35)24-14-5-19(2)6-15-24/h3-17,30-31H,1-2H3,(H,28,29)
Affinity DataIC50: 3.00E+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
LigandPNGBDBM50495827(CHEMBL3116089)
Show SMILES Nc1nnc(SCC(=O)c2ccc(cc2)-c2ccccc2)s1
Show InChI InChI=1S/C16H13N3OS2/c17-15-18-19-16(22-15)21-10-14(20)13-8-6-12(7-9-13)11-4-2-1-3-5-11/h1-9H,10H2,(H2,17,18)
Affinity DataIC50: 7.90E+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
LigandPNGBDBM50495817(CHEMBL3116087)
Show SMILES CC(=O)c1cc2OCCOc2cc1NC(=O)c1ccccc1Br
Show InChI InChI=1S/C17H14BrNO4/c1-10(20)12-8-15-16(23-7-6-22-15)9-14(12)19-17(21)11-4-2-3-5-13(11)18/h2-5,8-9H,6-7H2,1H3,(H,19,21)
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