Compile Data Set for Download or QSAR

Found 72 hits Enz. Inhib. hit(s) with all data for entry = 50005968   

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)	BDBM50495815 (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)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	60	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)	BDBM50495815 (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)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	110	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)	BDBM50495826 (CHEMBL3115909) Show SMILES OC(=O)c1ccc(cc1)-c1nc(c([nH]1)-c1ccccc1)-c1ccc(cc1)-c1ccc(cc1)-c1nc([nH]c1-c1ccccc1)-c1ccc(cc1)C(O)=O Show InChI InChI=1S/C44H30N4O4/c49-43(50)35-23-19-33(20-24-35)41-45-37(29-7-3-1-4-8-29)39(47-41)31-15-11-27(12-16-31)28-13-17-32(18-14-28)40-38(30-9-5-2-6-10-30)46-42(48-40)34-21-25-36(26-22-34)44(51)52/h1-26H,(H,45,47)(H,46,48)(H,49,50)(H,51,52)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	440	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)	BDBM82190 (Salicylic acid derivative, compound 2) Show SMILES Cc1ccc(C)n1-c1ccc(O)c(c1)C(O)=O Show InChI InChI=1S/C13H13NO3/c1-8-3-4-9(2)14(8)10-5-6-12(15)11(7-10)13(16)17/h3-7,15H,1-2H3,(H,16,17)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	620	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)	BDBM50495822 (CHEMBL3115910) Show SMILES [O-][N+](=O)c1ccc(cc1)-c1ccc(\C=C2\C(=O)NC(=S)N(Cc3ccco3)C2=O)o1 Show InChI InChI=1S/C20H13N3O6S/c24-18-16(19(25)22(20(30)21-18)11-15-2-1-9-28-15)10-14-7-8-17(29-14)12-3-5-13(6-4-12)23(26)27/h1-10H,11H2,(H,21,24,30)/b16-10-	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	700	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)	BDBM50495801 (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-	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	990	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)	BDBM50495828 (CHEMBL1376711) Show SMILES Fc1ccc(cc1)N1C(=S)NC(=O)\C(=C/c2ccco2)C1=O Show InChI InChI=1S/C15H9FN2O3S/c16-9-3-5-10(6-4-9)18-14(20)12(13(19)17-15(18)22)8-11-2-1-7-21-11/h1-8H,(H,17,19,22)/b12-8+	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.20E+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)	BDBM50391711 (CHEMBL2146958) Show SMILES Oc1ccc(\C=c2/sc3nc4ccccc4n3c2=O)cc1O Show InChI InChI=1S/C16H10N2O3S/c19-12-6-5-9(7-13(12)20)8-14-15(21)18-11-4-2-1-3-10(11)17-16(18)22-14/h1-8,19-20H/b14-8-	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.30E+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)	BDBM50468089 (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)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase 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 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)	BDBM50495821 (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+	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.80E+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)	BDBM42034 (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 |c:9| 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)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.30E+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)	BDBM50495814 (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+	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.40E+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)	BDBM50495825 (CHEMBL3115916) Show SMILES OC(=O)C1Nc2ccc(Cl)cc2C2C=CCC12 |c:14| Show InChI InChI=1S/C13H12ClNO2/c14-7-4-5-11-10(6-7)8-2-1-3-9(8)12(15-11)13(16)17/h1-2,4-6,8-9,12,15H,3H2,(H,16,17)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase 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 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)	BDBM50495813 (CHEMBL3115915) Show SMILES OC(=O)c1cccc2C3C=CCC3C(Nc12)c1cccc(Br)c1 |c:9| Show InChI InChI=1S/C19H16BrNO2/c20-12-5-1-4-11(10-12)17-14-7-2-6-13(14)15-8-3-9-16(19(22)23)18(15)21-17/h1-6,8-10,13-14,17,21H,7H2,(H,22,23)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase MCE 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 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)	BDBM50495801 (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-	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.30E+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-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)	BDBM46188 (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)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.40E+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)	BDBM50495803 (CHEMBL3115917) Show SMILES CN(C)c1ccc(\C=C2\C(=O)NC(=S)N(Cc3ccco3)C2=O)cc1 Show InChI InChI=1S/C18H17N3O3S/c1-20(2)13-7-5-12(6-8-13)10-15-16(22)19-18(25)21(17(15)23)11-14-4-3-9-24-14/h3-10H,11H2,1-2H3,(H,19,22,25)/b15-10-	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase 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	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)	BDBM50495820 (CHEMBL3115918) Show SMILES Cc1ccc(\C=C2\SC(=S)N(C2=O)c2ccc(C(O)=O)c(O)c2)o1 Show InChI InChI=1S/C16H11NO5S2/c1-8-2-4-10(22-8)7-13-14(19)17(16(23)24-13)9-3-5-11(15(20)21)12(18)6-9/h2-7,18H,1H3,(H,20,21)/b13-7+	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.10E+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)	BDBM50495811 (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)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.30E+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)	BDBM50495823 (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+	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.40E+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)	BDBM50495810 (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	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.80E+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)	BDBM50495809 (CHEMBL3115922) Show SMILES OC(=O)c1cccc2C3C=CCC3C(Nc12)c1ccccc1F |c:9| Show InChI InChI=1S/C19H16FNO2/c20-16-10-2-1-5-14(16)17-12-7-3-6-11(12)13-8-4-9-15(19(22)23)18(13)21-17/h1-6,8-12,17,21H,7H2,(H,22,23)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	9.10E+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)	BDBM50391711 (CHEMBL2146958) Show SMILES Oc1ccc(\C=c2/sc3nc4ccccc4n3c2=O)cc1O Show InChI InChI=1S/C16H10N2O3S/c19-12-6-5-9(7-13(12)20)8-14-15(21)18-11-4-2-1-3-10(11)17-16(18)22-14/h1-8,19-20H/b14-8-	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.80E+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-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)	BDBM50495805 (CHEMBL3115923) Show SMILES Oc1cc2n[nH]c(=O)n2c2ccccc12 Show InChI InChI=1S/C10H7N3O2/c14-8-5-9-11-12-10(15)13(9)7-4-2-1-3-6(7)8/h1-5,14H,(H,12,15)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.10E+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 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)	BDBM50468089 (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)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.30E+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)	BDBM50495808 (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)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.40E+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 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)	BDBM50495819 (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+	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.70E+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 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)	BDBM46190 (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)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	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 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-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)	BDBM50495804 (CHEMBL3115925) Show SMILES CCOc1ccc(cc1)N1C(=O)NC(=O)\C(=C\c2ccc(O)c(O)c2)C1=O Show InChI InChI=1S/C19H16N2O6/c1-2-27-13-6-4-12(5-7-13)21-18(25)14(17(24)20-19(21)26)9-11-3-8-15(22)16(23)10-11/h3-10,22-23H,2H2,1H3,(H,20,24,26)/b14-9-	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 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)	BDBM50495826 (CHEMBL3115909) Show SMILES OC(=O)c1ccc(cc1)-c1nc(c([nH]1)-c1ccccc1)-c1ccc(cc1)-c1ccc(cc1)-c1nc([nH]c1-c1ccccc1)-c1ccc(cc1)C(O)=O Show InChI InChI=1S/C44H30N4O4/c49-43(50)35-23-19-33(20-24-35)41-45-37(29-7-3-1-4-8-29)39(47-41)31-15-11-27(12-16-31)28-13-17-32(18-14-28)40-38(30-9-5-2-6-10-30)46-42(48-40)34-21-25-36(26-22-34)44(51)52/h1-26H,(H,45,47)(H,46,48)(H,49,50)(H,51,52)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	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-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)	BDBM50495828 (CHEMBL1376711) Show SMILES Fc1ccc(cc1)N1C(=S)NC(=O)\C(=C/c2ccco2)C1=O Show InChI InChI=1S/C15H9FN2O3S/c16-9-3-5-10(6-4-9)18-14(20)12(13(19)17-15(18)22)8-11-2-1-7-21-11/h1-8H,(H,17,19,22)/b12-8+	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-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)	BDBM50495824 (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+	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.30E+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 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)	BDBM50495818 (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)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase 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 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)	BDBM50495813 (CHEMBL3115915) Show SMILES OC(=O)c1cccc2C3C=CCC3C(Nc12)c1cccc(Br)c1 |c:9| Show InChI InChI=1S/C19H16BrNO2/c20-12-5-1-4-11(10-12)17-14-7-2-6-13(14)15-8-3-9-16(19(22)23)18(15)21-17/h1-6,8-10,13-14,17,21H,7H2,(H,22,23)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.40E+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-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)	BDBM50495820 (CHEMBL3115918) Show SMILES Cc1ccc(\C=C2\SC(=S)N(C2=O)c2ccc(C(O)=O)c(O)c2)o1 Show InChI InChI=1S/C16H11NO5S2/c1-8-2-4-10(22-8)7-13-14(19)17(16(23)24-13)9-3-5-11(15(20)21)12(18)6-9/h2-7,18H,1H3,(H,20,21)/b13-7+	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.80E+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)	BDBM50495802 (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)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.20E+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)	BDBM50495807 (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)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.20E+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 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)	BDBM50343652 (4-((1H-benzo[d][1,2,3]triazol-1-yl)methylamino)phe...) Show SMILES Oc1ccc(NCn2nnc3ccccc23)cc1 Show InChI InChI=1S/C13H12N4O/c18-11-7-5-10(6-8-11)14-9-17-13-4-2-1-3-12(13)15-16-17/h1-8,14,18H,9H2	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.50E+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 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)	BDBM50495825 (CHEMBL3115916) Show SMILES OC(=O)C1Nc2ccc(Cl)cc2C2C=CCC12 |c:14| Show InChI InChI=1S/C13H12ClNO2/c14-7-4-5-11-10(6-7)8-2-1-3-9(8)12(15-11)13(16)17/h1-2,4-6,8-9,12,15H,3H2,(H,16,17)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.80E+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)	BDBM50495806 (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+	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.00E+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 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)	BDBM50495814 (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+	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.10E+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)	BDBM50495809 (CHEMBL3115922) Show SMILES OC(=O)c1cccc2C3C=CCC3C(Nc12)c1ccccc1F |c:9| Show InChI InChI=1S/C19H16FNO2/c20-16-10-2-1-5-14(16)17-12-7-3-6-11(12)13-8-4-9-15(19(22)23)18(13)21-17/h1-6,8-12,17,21H,7H2,(H,22,23)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	9.50E+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-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)	BDBM50495802 (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)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	9.70E+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 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)	BDBM50495827 (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)	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)	BDBM50495800 (CHEMBL3116090) Show SMILES Cc1ccc(o1)-c1ccc(NC(=O)\C=C\c2ccco2)cc1 Show InChI InChI=1S/C18H15NO3/c1-13-4-10-17(22-13)14-5-7-15(8-6-14)19-18(20)11-9-16-3-2-12-21-16/h2-12H,1H3,(H,19,20)/b11-9+	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	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)	BDBM50495817 (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)	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	>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)	BDBM50343652 (4-((1H-benzo[d][1,2,3]triazol-1-yl)methylamino)phe...) Show SMILES Oc1ccc(NCn2nnc3ccccc23)cc1 Show InChI InChI=1S/C13H12N4O/c18-11-7-5-10(6-8-11)14-9-17-13-4-2-1-3-12(13)15-16-17/h1-8,14,18H,9H2	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.30E+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

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