Compile Data Set for Download or QSAR

Found 212 hits Enz. Inhib. hit(s) with all data for entry = 50006618   

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)	BDBM50501230 (CHEMBL3986320) Show SMILES Oc1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)-c1nc2cc(NS(=O)(=O)c3ccc(O)cc3)ccc2o1 Show InChI InChI=1S/C25H19N3O7S2/c29-19-6-10-21(11-7-19)36(31,32)27-17-3-1-16(2-4-17)25-26-23-15-18(5-14-24(23)35-25)28-37(33,34)22-12-8-20(30)9-13-22/h1-15,27-30H	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	310	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 26: 5247-5253 (2016) Article DOI: 10.1016/j.bmcl.2016.09.051 BindingDB Entry DOI: 10.7270/Q2WW7MRM
					More data for this Ligand-Target Pair
Co-chaperonin GroES (Escherichia coli)	BDBM50501230 (CHEMBL3986320) Show SMILES Oc1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)-c1nc2cc(NS(=O)(=O)c3ccc(O)cc3)ccc2o1 Show InChI InChI=1S/C25H19N3O7S2/c29-19-6-10-21(11-7-19)36(31,32)27-17-3-1-16(2-4-17)25-26-23-15-18(5-14-24(23)35-25)28-37(33,34)22-12-8-20(30)9-13-22/h1-15,27-30H	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	340	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 26: 5247-5253 (2016) Article DOI: 10.1016/j.bmcl.2016.09.051 BindingDB Entry DOI: 10.7270/Q2WW7MRM
					More data for this Ligand-Target Pair
Co-chaperonin GroES (Escherichia coli)	BDBM50501263 (CHEMBL3951335) Show SMILES O=S(=O)(Nc1ccc(cc1)-c1nc2cc(NS(=O)(=O)c3ccc4ncsc4c3)ccc2o1)c1ccc2ncsc2c1 Show InChI InChI=1S/C27H17N5O5S4/c33-40(34,19-6-8-21-25(12-19)38-14-28-21)31-17-3-1-16(2-4-17)27-30-23-11-18(5-10-24(23)37-27)32-41(35,36)20-7-9-22-26(13-20)39-15-29-22/h1-15,31-32H	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	550	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 26: 5247-5253 (2016) Article DOI: 10.1016/j.bmcl.2016.09.051 BindingDB Entry DOI: 10.7270/Q2WW7MRM
					More data for this Ligand-Target Pair
Co-chaperonin GroES (Escherichia coli)	BDBM50501239 (CHEMBL3938421) Show SMILES Oc1cccc(c1)S(=O)(=O)Nc1ccc(cc1)-c1nc2cc(NS(=O)(=O)c3cccc(O)c3)ccc2o1 Show InChI InChI=1S/C25H19N3O7S2/c29-19-3-1-5-21(14-19)36(31,32)27-17-9-7-16(8-10-17)25-26-23-13-18(11-12-24(23)35-25)28-37(33,34)22-6-2-4-20(30)15-22/h1-15,27-30H	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	790	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 26: 5247-5253 (2016) Article DOI: 10.1016/j.bmcl.2016.09.051 BindingDB Entry DOI: 10.7270/Q2WW7MRM
					More data for this Ligand-Target Pair
Co-chaperonin GroES (Escherichia coli)	BDBM50501263 (CHEMBL3951335) Show SMILES O=S(=O)(Nc1ccc(cc1)-c1nc2cc(NS(=O)(=O)c3ccc4ncsc4c3)ccc2o1)c1ccc2ncsc2c1 Show InChI InChI=1S/C27H17N5O5S4/c33-40(34,19-6-8-21-25(12-19)38-14-28-21)31-17-3-1-16(2-4-17)27-30-23-11-18(5-10-24(23)37-27)32-41(35,36)20-7-9-22-26(13-20)39-15-29-22/h1-15,31-32H	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	810	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 26: 5247-5253 (2016) Article DOI: 10.1016/j.bmcl.2016.09.051 BindingDB Entry DOI: 10.7270/Q2WW7MRM
					More data for this Ligand-Target Pair
Co-chaperonin GroES (Escherichia coli)	BDBM50501239 (CHEMBL3938421) Show SMILES Oc1cccc(c1)S(=O)(=O)Nc1ccc(cc1)-c1nc2cc(NS(=O)(=O)c3cccc(O)c3)ccc2o1 Show InChI InChI=1S/C25H19N3O7S2/c29-19-3-1-5-21(14-19)36(31,32)27-17-9-7-16(8-10-17)25-26-23-13-18(11-12-24(23)35-25)28-37(33,34)22-6-2-4-20(30)15-22/h1-15,27-30H	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	900	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 26: 5247-5253 (2016) Article DOI: 10.1016/j.bmcl.2016.09.051 BindingDB Entry DOI: 10.7270/Q2WW7MRM
					More data for this Ligand-Target Pair
Co-chaperonin GroES (Escherichia coli)	BDBM50501234 (CHEMBL3943318) Show SMILES Nc1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)-c1nc2cc(NS(=O)(=O)c3ccc(N)cc3)ccc2o1 Show InChI InChI=1S/C25H21N5O5S2/c26-17-3-10-21(11-4-17)36(31,32)29-19-7-1-16(2-8-19)25-28-23-15-20(9-14-24(23)35-25)30-37(33,34)22-12-5-18(27)6-13-22/h1-15,29-30H,26-27H2	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.40E+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 26: 5247-5253 (2016) Article DOI: 10.1016/j.bmcl.2016.09.051 BindingDB Entry DOI: 10.7270/Q2WW7MRM
					More data for this Ligand-Target Pair
Co-chaperonin GroES (Escherichia coli)	BDBM50501234 (CHEMBL3943318) Show SMILES Nc1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)-c1nc2cc(NS(=O)(=O)c3ccc(N)cc3)ccc2o1 Show InChI InChI=1S/C25H21N5O5S2/c26-17-3-10-21(11-4-17)36(31,32)29-19-7-1-16(2-8-19)25-28-23-15-20(9-14-24(23)35-25)30-37(33,34)22-12-5-18(27)6-13-22/h1-15,29-30H,26-27H2	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-ATPase activity expressed in Escherichia coli DH5alpha/BL21 (DE3) assessed as inhibition of denatured MDH ...				Bioorg Med Chem Lett 26: 5247-5253 (2016) Article DOI: 10.1016/j.bmcl.2016.09.051 BindingDB Entry DOI: 10.7270/Q2WW7MRM
					More data for this Ligand-Target Pair
Co-chaperonin GroES (Escherichia coli)	BDBM50501254 (CHEMBL3980253) Show SMILES O=S(=O)(Nc1ccc(cc1)-c1nc2cc(NS(=O)(=O)c3ccc4nsnc4c3)ccc2o1)c1ccc2nsnc2c1 Show InChI InChI=1S/C25H15N7O5S4/c33-40(34,17-6-8-19-21(12-17)29-38-27-19)31-15-3-1-14(2-4-15)25-26-23-11-16(5-10-24(23)37-25)32-41(35,36)18-7-9-20-22(13-18)30-39-28-20/h1-13,31-32H	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-ATPase activity expressed in Escherichia coli DH5alpha/BL21 (DE3) assessed as inhibition of denatured MDH ...				Bioorg Med Chem Lett 26: 5247-5253 (2016) Article DOI: 10.1016/j.bmcl.2016.09.051 BindingDB Entry DOI: 10.7270/Q2WW7MRM
					More data for this Ligand-Target Pair
Co-chaperonin GroES (Escherichia coli)	BDBM50501240 (CHEMBL3966262) Show SMILES Nc1cccc(c1)S(=O)(=O)Nc1ccc(cc1)-c1nc2cc(NS(=O)(=O)c3cccc(N)c3)ccc2o1 Show InChI InChI=1S/C25H21N5O5S2/c26-17-3-1-5-21(13-17)36(31,32)29-19-9-7-16(8-10-19)25-28-23-15-20(11-12-24(23)35-25)30-37(33,34)22-6-2-4-18(27)14-22/h1-15,29-30H,26-27H2	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.80E+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 26: 5247-5253 (2016) Article DOI: 10.1016/j.bmcl.2016.09.051 BindingDB Entry DOI: 10.7270/Q2WW7MRM
					More data for this Ligand-Target Pair
Co-chaperonin GroES (Escherichia coli)	BDBM50501225 (CHEMBL3967047) Show SMILES [O-][N+](=O)c1ccccc1S(=O)(=O)Nc1ccc(cc1)-c1nc2cc(NS(=O)(=O)c3ccccc3[N+]([O-])=O)ccc2o1 Show InChI InChI=1S/C25H17N5O9S2/c31-29(32)20-5-1-3-7-23(20)40(35,36)27-17-11-9-16(10-12-17)25-26-19-15-18(13-14-22(19)39-25)28-41(37,38)24-8-4-2-6-21(24)30(33)34/h1-15,27-28H	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.10E+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-ATPase activity expressed in Escherichia coli DH5alpha/BL21 (DE3) assessed as inhibition of denatured MDH ...				Bioorg Med Chem Lett 26: 5247-5253 (2016) Article DOI: 10.1016/j.bmcl.2016.09.051 BindingDB Entry DOI: 10.7270/Q2WW7MRM
					More data for this Ligand-Target Pair
Co-chaperonin GroES (Escherichia coli)	BDBM50501225 (CHEMBL3967047) Show SMILES [O-][N+](=O)c1ccccc1S(=O)(=O)Nc1ccc(cc1)-c1nc2cc(NS(=O)(=O)c3ccccc3[N+]([O-])=O)ccc2o1 Show InChI InChI=1S/C25H17N5O9S2/c31-29(32)20-5-1-3-7-23(20)40(35,36)27-17-11-9-16(10-12-17)25-26-19-15-18(13-14-22(19)39-25)28-41(37,38)24-8-4-2-6-21(24)30(33)34/h1-15,27-28H	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.60E+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 26: 5247-5253 (2016) Article DOI: 10.1016/j.bmcl.2016.09.051 BindingDB Entry DOI: 10.7270/Q2WW7MRM
					More data for this Ligand-Target Pair
Co-chaperonin GroES (Escherichia coli)	BDBM50501254 (CHEMBL3980253) Show SMILES O=S(=O)(Nc1ccc(cc1)-c1nc2cc(NS(=O)(=O)c3ccc4nsnc4c3)ccc2o1)c1ccc2nsnc2c1 Show InChI InChI=1S/C25H15N7O5S4/c33-40(34,17-6-8-19-21(12-17)29-38-27-19)31-15-3-1-14(2-4-15)25-26-23-11-16(5-10-24(23)37-25)32-41(35,36)18-7-9-20-22(13-18)30-39-28-20/h1-13,31-32H	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.70E+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 26: 5247-5253 (2016) Article DOI: 10.1016/j.bmcl.2016.09.051 BindingDB Entry DOI: 10.7270/Q2WW7MRM
					More data for this Ligand-Target Pair
Co-chaperonin GroES (Escherichia coli)	BDBM50501238 (CHEMBL3913878) Show SMILES Fc1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)-c1nc2cc(NS(=O)(=O)c3ccc(F)cc3)ccc2o1 Show InChI InChI=1S/C25H17F2N3O5S2/c26-17-3-10-21(11-4-17)36(31,32)29-19-7-1-16(2-8-19)25-28-23-15-20(9-14-24(23)35-25)30-37(33,34)22-12-5-18(27)6-13-22/h1-15,29-30H	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.80E+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 26: 5247-5253 (2016) Article DOI: 10.1016/j.bmcl.2016.09.051 BindingDB Entry DOI: 10.7270/Q2WW7MRM
					More data for this Ligand-Target Pair
Co-chaperonin GroES (Escherichia coli)	BDBM50501243 (CHEMBL3903813) Show SMILES O=S(=O)(Nc1ccc(cc1)-c1nc2cc(NS(=O)(=O)c3ccccc3)ccc2o1)c1ccccc1 Show InChI InChI=1S/C25H19N3O5S2/c29-34(30,21-7-3-1-4-8-21)27-19-13-11-18(12-14-19)25-26-23-17-20(15-16-24(23)33-25)28-35(31,32)22-9-5-2-6-10-22/h1-17,27-28H	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.90E+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 26: 5247-5253 (2016) Article DOI: 10.1016/j.bmcl.2016.09.051 BindingDB Entry DOI: 10.7270/Q2WW7MRM
					More data for this Ligand-Target Pair
Co-chaperonin GroES (Escherichia coli)	BDBM50501232 (CHEMBL3934352) Show SMILES O=S(=O)(Nc1ccc(cc1)-c1nc2cc(NS(=O)(=O)c3cccc(c3)C#N)ccc2o1)c1cccc(c1)C#N Show InChI InChI=1S/C27H17N5O5S2/c28-16-18-3-1-5-23(13-18)38(33,34)31-21-9-7-20(8-10-21)27-30-25-15-22(11-12-26(25)37-27)32-39(35,36)24-6-2-4-19(14-24)17-29/h1-15,31-32H	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.10E+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-ATPase activity expressed in Escherichia coli DH5alpha/BL21 (DE3) assessed as inhibition of denatured MDH ...				Bioorg Med Chem Lett 26: 5247-5253 (2016) Article DOI: 10.1016/j.bmcl.2016.09.051 BindingDB Entry DOI: 10.7270/Q2WW7MRM
					More data for this Ligand-Target Pair
Co-chaperonin GroES (Escherichia coli)	BDBM50501238 (CHEMBL3913878) Show SMILES Fc1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)-c1nc2cc(NS(=O)(=O)c3ccc(F)cc3)ccc2o1 Show InChI InChI=1S/C25H17F2N3O5S2/c26-17-3-10-21(11-4-17)36(31,32)29-19-7-1-16(2-8-19)25-28-23-15-20(9-14-24(23)35-25)30-37(33,34)22-12-5-18(27)6-13-22/h1-15,29-30H	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.30E+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 26: 5247-5253 (2016) Article DOI: 10.1016/j.bmcl.2016.09.051 BindingDB Entry DOI: 10.7270/Q2WW7MRM
					More data for this Ligand-Target Pair
Co-chaperonin GroES (Escherichia coli)	BDBM50501243 (CHEMBL3903813) Show SMILES O=S(=O)(Nc1ccc(cc1)-c1nc2cc(NS(=O)(=O)c3ccccc3)ccc2o1)c1ccccc1 Show InChI InChI=1S/C25H19N3O5S2/c29-34(30,21-7-3-1-4-8-21)27-19-13-11-18(12-14-19)25-26-23-17-20(15-16-24(23)33-25)28-35(31,32)22-9-5-2-6-10-22/h1-17,27-28H	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.60E+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 26: 5247-5253 (2016) Article DOI: 10.1016/j.bmcl.2016.09.051 BindingDB Entry DOI: 10.7270/Q2WW7MRM
					More data for this Ligand-Target Pair
Co-chaperonin GroES (Escherichia coli)	BDBM50501220 (CHEMBL3975456) Show SMILES O=S(=O)(Nc1ccc(cc1)-c1nc2cc(NS(=O)(=O)c3cccs3)ccc2o1)c1cccs1 Show InChI InChI=1S/C21H15N3O5S4/c25-32(26,19-3-1-11-30-19)23-15-7-5-14(6-8-15)21-22-17-13-16(9-10-18(17)29-21)24-33(27,28)20-4-2-12-31-20/h1-13,23-24H	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.60E+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 26: 5247-5253 (2016) Article DOI: 10.1016/j.bmcl.2016.09.051 BindingDB Entry DOI: 10.7270/Q2WW7MRM
					More data for this Ligand-Target Pair
Co-chaperonin GroES (Escherichia coli)	BDBM50501249 (CHEMBL3894879) Show SMILES Fc1cccc(c1)S(=O)(=O)Nc1ccc(cc1)-c1nc2cc(NS(=O)(=O)c3cccc(F)c3)ccc2o1 Show InChI InChI=1S/C25H17F2N3O5S2/c26-17-3-1-5-21(13-17)36(31,32)29-19-9-7-16(8-10-19)25-28-23-15-20(11-12-24(23)35-25)30-37(33,34)22-6-2-4-18(27)14-22/h1-15,29-30H	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.10E+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-ATPase activity expressed in Escherichia coli DH5alpha/BL21 (DE3) assessed as inhibition of denatured MDH ...				Bioorg Med Chem Lett 26: 5247-5253 (2016) Article DOI: 10.1016/j.bmcl.2016.09.051 BindingDB Entry DOI: 10.7270/Q2WW7MRM
					More data for this Ligand-Target Pair
Co-chaperonin GroES (Escherichia coli)	BDBM50501249 (CHEMBL3894879) Show SMILES Fc1cccc(c1)S(=O)(=O)Nc1ccc(cc1)-c1nc2cc(NS(=O)(=O)c3cccc(F)c3)ccc2o1 Show InChI InChI=1S/C25H17F2N3O5S2/c26-17-3-1-5-21(13-17)36(31,32)29-19-9-7-16(8-10-19)25-28-23-15-20(11-12-24(23)35-25)30-37(33,34)22-6-2-4-18(27)14-22/h1-15,29-30H	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.30E+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 26: 5247-5253 (2016) Article DOI: 10.1016/j.bmcl.2016.09.051 BindingDB Entry DOI: 10.7270/Q2WW7MRM
					More data for this Ligand-Target Pair
Co-chaperonin GroES (Escherichia coli)	BDBM50501220 (CHEMBL3975456) Show SMILES O=S(=O)(Nc1ccc(cc1)-c1nc2cc(NS(=O)(=O)c3cccs3)ccc2o1)c1cccs1 Show InChI InChI=1S/C21H15N3O5S4/c25-32(26,19-3-1-11-30-19)23-15-7-5-14(6-8-15)21-22-17-13-16(9-10-18(17)29-21)24-33(27,28)20-4-2-12-31-20/h1-13,23-24H	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.70E+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-ATPase activity expressed in Escherichia coli DH5alpha/BL21 (DE3) assessed as inhibition of denatured MDH ...				Bioorg Med Chem Lett 26: 5247-5253 (2016) Article DOI: 10.1016/j.bmcl.2016.09.051 BindingDB Entry DOI: 10.7270/Q2WW7MRM
					More data for this Ligand-Target Pair
Co-chaperonin GroES (Escherichia coli)	BDBM50501257 (CHEMBL3910488) Show SMILES Oc1ccccc1S(=O)(=O)Nc1ccc(cc1)-c1nc2cc(NS(=O)(=O)c3ccccc3O)ccc2o1 Show InChI InChI=1S/C25H19N3O7S2/c29-20-5-1-3-7-23(20)36(31,32)27-17-11-9-16(10-12-17)25-26-19-15-18(13-14-22(19)35-25)28-37(33,34)24-8-4-2-6-21(24)30/h1-15,27-30H	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.50E+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 26: 5247-5253 (2016) Article DOI: 10.1016/j.bmcl.2016.09.051 BindingDB Entry DOI: 10.7270/Q2WW7MRM
					More data for this Ligand-Target Pair
Co-chaperonin GroES (Escherichia coli)	BDBM50501232 (CHEMBL3934352) Show SMILES O=S(=O)(Nc1ccc(cc1)-c1nc2cc(NS(=O)(=O)c3cccc(c3)C#N)ccc2o1)c1cccc(c1)C#N Show InChI InChI=1S/C27H17N5O5S2/c28-16-18-3-1-5-23(13-18)38(33,34)31-21-9-7-20(8-10-21)27-30-25-15-22(11-12-26(25)37-27)32-39(35,36)24-6-2-4-19(14-24)17-29/h1-15,31-32H	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.60E+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 26: 5247-5253 (2016) Article DOI: 10.1016/j.bmcl.2016.09.051 BindingDB Entry DOI: 10.7270/Q2WW7MRM
					More data for this Ligand-Target Pair
Co-chaperonin GroES (Escherichia coli)	BDBM50179360 (CHEMBL3040216) Show SMILES CC1=CCC(=C\C1=N\C(=O)C1=CC=C\C(C1)=N/C(=O)/N=C1/CC(=CC=C1)C(=O)\N=C1\CC(=CC=C1C)C(=O)\N=C1/CC=C(c2cc(cc(c12)S(O)(=O)=O)S(O)(=O)=O)S(O)(=O)=O)C(=O)\N=C1/CC=C(c2cc(cc(c12)S(O)(=O)=O)S(O)(=O)=O)S(O)(=O)=O |c:4,13,24,26,34,36,45,72,t:1,11| Show InChI InChI=1S/C51H40N6O23S6/c1-25-9-11-29(49(60)54-37-13-15-41(83(69,70)71)35-21-33(81(63,64)65)23-43(45(35)37)85(75,76)77)19-39(25)56-47(58)27-5-3-7-31(17-27)52-51(62)53-32-8-4-6-28(18-32)48(59)57-40-20-30(12-10-26(40)2)50(61)55-38-14-16-42(84(72,73)74)36-22-34(82(66,67)68)24-44(46(36)38)86(78,79)80/h3-11,15-16,20-24H,12-14,17-19H2,1-2H3,(H,63,64,65)(H,66,67,68)(H,69,70,71)(H,72,73,74)(H,75,76,77)(H,78,79,80)/b52-31+,53-32+,54-37+,55-38+,56-39-,57-40-	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	7.90E+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 26: 5247-5253 (2016) Article DOI: 10.1016/j.bmcl.2016.09.051 BindingDB Entry DOI: 10.7270/Q2WW7MRM
					More data for this Ligand-Target Pair
Co-chaperonin GroES (Escherichia coli)	BDBM50501240 (CHEMBL3966262) Show SMILES Nc1cccc(c1)S(=O)(=O)Nc1ccc(cc1)-c1nc2cc(NS(=O)(=O)c3cccc(N)c3)ccc2o1 Show InChI InChI=1S/C25H21N5O5S2/c26-17-3-1-5-21(13-17)36(31,32)29-19-9-7-16(8-10-19)25-28-23-15-20(11-12-24(23)35-25)30-37(33,34)22-6-2-4-18(27)14-22/h1-15,29-30H,26-27H2	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	9.60E+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 26: 5247-5253 (2016) Article DOI: 10.1016/j.bmcl.2016.09.051 BindingDB Entry DOI: 10.7270/Q2WW7MRM
					More data for this Ligand-Target Pair
Co-chaperonin GroES (Escherichia coli)	BDBM50501252 (CHEMBL3954893) Show SMILES Nc1ccccc1S(=O)(=O)Nc1ccc(cc1)-c1nc2cc(NS(=O)(=O)c3ccccc3N)ccc2o1 Show InChI InChI=1S/C25H21N5O5S2/c26-19-5-1-3-7-23(19)36(31,32)29-17-11-9-16(10-12-17)25-28-21-15-18(13-14-22(21)35-25)30-37(33,34)24-8-4-2-6-20(24)27/h1-15,29-30H,26-27H2	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.00E+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 26: 5247-5253 (2016) Article DOI: 10.1016/j.bmcl.2016.09.051 BindingDB Entry DOI: 10.7270/Q2WW7MRM
					More data for this Ligand-Target Pair
Co-chaperonin GroES (Escherichia coli)	BDBM50501251 (CHEMBL3928317) Show SMILES [O-][N+](=O)c1cccc(c1)S(=O)(=O)Nc1ccc(cc1)-c1nc2cc(NS(=O)(=O)c3cccc(c3)[N+]([O-])=O)ccc2o1 Show InChI InChI=1S/C25H17N5O9S2/c31-29(32)19-3-1-5-21(14-19)40(35,36)27-17-9-7-16(8-10-17)25-26-23-13-18(11-12-24(23)39-25)28-41(37,38)22-6-2-4-20(15-22)30(33)34/h1-15,27-28H	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 26: 5247-5253 (2016) Article DOI: 10.1016/j.bmcl.2016.09.051 BindingDB Entry DOI: 10.7270/Q2WW7MRM
					More data for this Ligand-Target Pair
60 kDa heat shock protein, mitochondrial (Homo sapiens)	BDBM50179360 (CHEMBL3040216) Show SMILES CC1=CCC(=C\C1=N\C(=O)C1=CC=C\C(C1)=N/C(=O)/N=C1/CC(=CC=C1)C(=O)\N=C1\CC(=CC=C1C)C(=O)\N=C1/CC=C(c2cc(cc(c12)S(O)(=O)=O)S(O)(=O)=O)S(O)(=O)=O)C(=O)\N=C1/CC=C(c2cc(cc(c12)S(O)(=O)=O)S(O)(=O)=O)S(O)(=O)=O |c:4,13,24,26,34,36,45,72,t:1,11| Show InChI InChI=1S/C51H40N6O23S6/c1-25-9-11-29(49(60)54-37-13-15-41(83(69,70)71)35-21-33(81(63,64)65)23-43(45(35)37)85(75,76)77)19-39(25)56-47(58)27-5-3-7-31(17-27)52-51(62)53-32-8-4-6-28(18-32)48(59)57-40-20-30(12-10-26(40)2)50(61)55-38-14-16-42(84(72,73)74)36-22-34(82(66,67)68)24-44(46(36)38)86(78,79)80/h3-11,15-16,20-24H,12-14,17-19H2,1-2H3,(H,63,64,65)(H,66,67,68)(H,69,70,71)(H,72,73,74)(H,75,76,77)(H,78,79,80)/b52-31+,53-32+,54-37+,55-38+,56-39-,57-40-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	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 human mitochondrial HSP60/HSP10 expressed in Escherichia coli DH5alpha/BL21 (DE3) assessed as inhibition of denatured MDH refolding pre...				Bioorg Med Chem Lett 26: 5247-5253 (2016) Article DOI: 10.1016/j.bmcl.2016.09.051 BindingDB Entry DOI: 10.7270/Q2WW7MRM
					More data for this Ligand-Target Pair
60 kDa heat shock protein, mitochondrial (Homo sapiens)	BDBM50501230 (CHEMBL3986320) Show SMILES Oc1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)-c1nc2cc(NS(=O)(=O)c3ccc(O)cc3)ccc2o1 Show InChI InChI=1S/C25H19N3O7S2/c29-19-6-10-21(11-7-19)36(31,32)27-17-3-1-16(2-4-17)25-26-23-15-18(5-14-24(23)35-25)28-37(33,34)22-12-8-20(30)9-13-22/h1-15,27-30H	PDB UniProtKB/SwissProt antibodypedia 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 human mitochondrial HSP60/HSP10 expressed in Escherichia coli DH5alpha/BL21 (DE3) assessed as inhibition of denatured MDH refolding pre...				Bioorg Med Chem Lett 26: 5247-5253 (2016) Article DOI: 10.1016/j.bmcl.2016.09.051 BindingDB Entry DOI: 10.7270/Q2WW7MRM
					More data for this Ligand-Target Pair
Co-chaperonin GroES (Escherichia coli)	BDBM50501226 (CHEMBL3933283) Show SMILES COC(=O)c1cccc(c1)S(=O)(=O)Nc1ccc(cc1)-c1nc2cc(NS(=O)(=O)c3cccc(c3)C(=O)OC)ccc2o1 Show InChI InChI=1S/C29H23N3O9S2/c1-39-28(33)19-5-3-7-23(15-19)42(35,36)31-21-11-9-18(10-12-21)27-30-25-17-22(13-14-26(25)41-27)32-43(37,38)24-8-4-6-20(16-24)29(34)40-2/h3-17,31-32H,1-2H3	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 26: 5247-5253 (2016) Article DOI: 10.1016/j.bmcl.2016.09.051 BindingDB Entry DOI: 10.7270/Q2WW7MRM
					More data for this Ligand-Target Pair
60 kDa heat shock protein, mitochondrial (Homo sapiens)	BDBM50501257 (CHEMBL3910488) Show SMILES Oc1ccccc1S(=O)(=O)Nc1ccc(cc1)-c1nc2cc(NS(=O)(=O)c3ccccc3O)ccc2o1 Show InChI InChI=1S/C25H19N3O7S2/c29-20-5-1-3-7-23(20)36(31,32)27-17-11-9-16(10-12-17)25-26-19-15-18(13-14-22(19)35-25)28-37(33,34)24-8-4-2-6-21(24)30/h1-15,27-30H	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	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 human mitochondrial HSP60/HSP10 expressed in Escherichia coli DH5alpha/BL21 (DE3) assessed as inhibition of denatured MDH refolding pre...				Bioorg Med Chem Lett 26: 5247-5253 (2016) Article DOI: 10.1016/j.bmcl.2016.09.051 BindingDB Entry DOI: 10.7270/Q2WW7MRM
					More data for this Ligand-Target Pair
Co-chaperonin GroES (Escherichia coli)	BDBM50450006 (CHEMBL3970551) Show SMILES FC(F)(F)c1cccc(c1)S(=O)(=O)Nc1ccc(cc1)-c1nc2cc(NS(=O)(=O)c3cccc(c3)C(F)(F)F)ccc2o1 Show InChI InChI=1S/C27H17F6N3O5S2/c28-26(29,30)17-3-1-5-21(13-17)42(37,38)35-19-9-7-16(8-10-19)25-34-23-15-20(11-12-24(23)41-25)36-43(39,40)22-6-2-4-18(14-22)27(31,32)33/h1-15,35-36H	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.50E+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 26: 5247-5253 (2016) Article DOI: 10.1016/j.bmcl.2016.09.051 BindingDB Entry DOI: 10.7270/Q2WW7MRM
					More data for this Ligand-Target Pair
Co-chaperonin GroES (Escherichia coli)	BDBM50501241 (CHEMBL3904891) Show SMILES Clc1cccc(c1)S(=O)(=O)Nc1ccc(cc1)-c1nc2cc(NS(=O)(=O)c3cccc(Cl)c3)ccc2o1 Show InChI InChI=1S/C25H17Cl2N3O5S2/c26-17-3-1-5-21(13-17)36(31,32)29-19-9-7-16(8-10-19)25-28-23-15-20(11-12-24(23)35-25)30-37(33,34)22-6-2-4-18(27)14-22/h1-15,29-30H	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.80E+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 expressed in Escherichia coli DH5alpha/BL21 (DE3) assessed as inhibition of denatured MDH refolding preinc...				Bioorg Med Chem Lett 26: 5247-5253 (2016) Article DOI: 10.1016/j.bmcl.2016.09.051 BindingDB Entry DOI: 10.7270/Q2WW7MRM
					More data for this Ligand-Target Pair
Co-chaperonin GroES (Escherichia coli)	BDBM50501228 (CHEMBL3924724) Show SMILES O=c1ccc2cc(ccc2o1)S(=O)(=O)Nc1ccc(cc1)-c1nc2cc(NS(=O)(=O)c3ccc4oc(=O)ccc4c3)ccc2o1 Show InChI InChI=1S/C31H19N3O9S2/c35-29-13-3-19-15-23(8-11-26(19)41-29)44(37,38)33-21-5-1-18(2-6-21)31-32-25-17-22(7-10-28(25)43-31)34-45(39,40)24-9-12-27-20(16-24)4-14-30(36)42-27/h1-17,33-34H	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.80E+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 expressed in Escherichia coli DH5alpha/BL21 (DE3) assessed as inhibition of denatured MDH refolding preinc...				Bioorg Med Chem Lett 26: 5247-5253 (2016) Article DOI: 10.1016/j.bmcl.2016.09.051 BindingDB Entry DOI: 10.7270/Q2WW7MRM
					More data for this Ligand-Target Pair
60 kDa heat shock protein, mitochondrial (Homo sapiens)	BDBM50501239 (CHEMBL3938421) Show SMILES Oc1cccc(c1)S(=O)(=O)Nc1ccc(cc1)-c1nc2cc(NS(=O)(=O)c3cccc(O)c3)ccc2o1 Show InChI InChI=1S/C25H19N3O7S2/c29-19-3-1-5-21(14-19)36(31,32)27-17-9-7-16(8-10-17)25-26-23-13-18(11-12-24(23)35-25)28-37(33,34)22-6-2-4-20(30)15-22/h1-15,27-30H	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.90E+4	n/a	n/a	n/a	n/a	n/a	n/a
Indiana University Curated by ChEMBL					Assay Description Inhibition of human mitochondrial HSP60/HSP10 expressed in Escherichia coli DH5alpha/BL21 (DE3) assessed as inhibition of denatured MDH refolding pre...				Bioorg Med Chem Lett 26: 5247-5253 (2016) Article DOI: 10.1016/j.bmcl.2016.09.051 BindingDB Entry DOI: 10.7270/Q2WW7MRM
					More data for this Ligand-Target Pair
Co-chaperonin GroES (Escherichia coli)	BDBM50501223 (CHEMBL3979736) Show SMILES Brc1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)-c1nc2cc(NS(=O)(=O)c3ccc(Br)cc3)ccc2o1 Show InChI InChI=1S/C25H17Br2N3O5S2/c26-17-3-10-21(11-4-17)36(31,32)29-19-7-1-16(2-8-19)25-28-23-15-20(9-14-24(23)35-25)30-37(33,34)22-12-5-18(27)6-13-22/h1-15,29-30H	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.90E+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 26: 5247-5253 (2016) Article DOI: 10.1016/j.bmcl.2016.09.051 BindingDB Entry DOI: 10.7270/Q2WW7MRM
					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	2.10E+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 26: 5247-5253 (2016) Article DOI: 10.1016/j.bmcl.2016.09.051 BindingDB Entry DOI: 10.7270/Q2WW7MRM
					More data for this Ligand-Target Pair
Co-chaperonin GroES (Escherichia coli)	BDBM50501245 (CHEMBL3899371) Show SMILES FC(F)(F)c1ccccc1S(=O)(=O)Nc1ccc(cc1)-c1nc2cc(NS(=O)(=O)c3ccccc3C(F)(F)F)ccc2o1 Show InChI InChI=1S/C27H17F6N3O5S2/c28-26(29,30)19-5-1-3-7-23(19)42(37,38)35-17-11-9-16(10-12-17)25-34-21-15-18(13-14-22(21)41-25)36-43(39,40)24-8-4-2-6-20(24)27(31,32)33/h1-15,35-36H	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.10E+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 26: 5247-5253 (2016) Article DOI: 10.1016/j.bmcl.2016.09.051 BindingDB Entry DOI: 10.7270/Q2WW7MRM
					More data for this Ligand-Target Pair
Co-chaperonin GroES (Escherichia coli)	BDBM50501244 (CHEMBL3912547) Show SMILES O=S(=O)(Nc1ccc(cc1)-c1nc2cc(NS(=O)(=O)c3cccc4nsnc34)ccc2o1)c1cccc2nsnc12 Show InChI InChI=1S/C25H15N7O5S4/c33-40(34,21-5-1-3-17-23(21)29-38-27-17)31-15-9-7-14(8-10-15)25-26-19-13-16(11-12-20(19)37-25)32-41(35,36)22-6-2-4-18-24(22)30-39-28-18/h1-13,31-32H	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.20E+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 26: 5247-5253 (2016) Article DOI: 10.1016/j.bmcl.2016.09.051 BindingDB Entry DOI: 10.7270/Q2WW7MRM
					More data for this Ligand-Target Pair
Co-chaperonin GroES (Escherichia coli)	BDBM50501233 (CHEMBL3922861) Show SMILES Fc1ccccc1S(=O)(=O)Nc1ccc(cc1)-c1nc2cc(NS(=O)(=O)c3ccccc3F)ccc2o1 Show InChI InChI=1S/C25H17F2N3O5S2/c26-19-5-1-3-7-23(19)36(31,32)29-17-11-9-16(10-12-17)25-28-21-15-18(13-14-22(21)35-25)30-37(33,34)24-8-4-2-6-20(24)27/h1-15,29-30H	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.20E+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 26: 5247-5253 (2016) Article DOI: 10.1016/j.bmcl.2016.09.051 BindingDB Entry DOI: 10.7270/Q2WW7MRM
					More data for this Ligand-Target Pair
Co-chaperonin GroES (Escherichia coli)	BDBM50501247 (CHEMBL3934460) Show SMILES O=S(=O)(Nc1ccc(cc1)-c1nc2cc(NS(=O)(=O)c3cccc4ccccc34)ccc2o1)c1cccc2ccccc12 Show InChI InChI=1S/C33H23N3O5S2/c37-42(38,31-13-5-9-22-7-1-3-11-27(22)31)35-25-17-15-24(16-18-25)33-34-29-21-26(19-20-30(29)41-33)36-43(39,40)32-14-6-10-23-8-2-4-12-28(23)32/h1-21,35-36H	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 expressed in Escherichia coli DH5alpha/BL21 (DE3) assessed as inhibition of denatured MDH refolding preinc...				Bioorg Med Chem Lett 26: 5247-5253 (2016) Article DOI: 10.1016/j.bmcl.2016.09.051 BindingDB Entry DOI: 10.7270/Q2WW7MRM
					More data for this Ligand-Target Pair
Co-chaperonin GroES (Escherichia coli)	BDBM50501255 (CHEMBL3942054) Show SMILES Brc1cccc(c1)S(=O)(=O)Nc1ccc(cc1)-c1nc2cc(NS(=O)(=O)c3cccc(Br)c3)ccc2o1 Show InChI InChI=1S/C25H17Br2N3O5S2/c26-17-3-1-5-21(13-17)36(31,32)29-19-9-7-16(8-10-19)25-28-23-15-20(11-12-24(23)35-25)30-37(33,34)22-6-2-4-18(27)14-22/h1-15,29-30H	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 expressed in Escherichia coli DH5alpha/BL21 (DE3) assessed as inhibition of denatured MDH refolding preinc...				Bioorg Med Chem Lett 26: 5247-5253 (2016) Article DOI: 10.1016/j.bmcl.2016.09.051 BindingDB Entry DOI: 10.7270/Q2WW7MRM
					More data for this Ligand-Target Pair
Co-chaperonin GroES (Escherichia coli)	BDBM50450005 (CHEMBL3975683) Show SMILES Clc1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)-c1nc2cc(NS(=O)(=O)c3ccc(Cl)cc3)ccc2o1 Show InChI InChI=1S/C25H17Cl2N3O5S2/c26-17-3-10-21(11-4-17)36(31,32)29-19-7-1-16(2-8-19)25-28-23-15-20(9-14-24(23)35-25)30-37(33,34)22-12-5-18(27)6-13-22/h1-15,29-30H	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 expressed in Escherichia coli DH5alpha/BL21 (DE3) assessed as inhibition of denatured MDH refolding preinc...				Bioorg Med Chem Lett 26: 5247-5253 (2016) Article DOI: 10.1016/j.bmcl.2016.09.051 BindingDB Entry DOI: 10.7270/Q2WW7MRM
					More data for this Ligand-Target Pair
Co-chaperonin GroES (Escherichia coli)	BDBM50501223 (CHEMBL3979736) Show SMILES Brc1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)-c1nc2cc(NS(=O)(=O)c3ccc(Br)cc3)ccc2o1 Show InChI InChI=1S/C25H17Br2N3O5S2/c26-17-3-10-21(11-4-17)36(31,32)29-19-7-1-16(2-8-19)25-28-23-15-20(9-14-24(23)35-25)30-37(33,34)22-12-5-18(27)6-13-22/h1-15,29-30H	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	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 26: 5247-5253 (2016) Article DOI: 10.1016/j.bmcl.2016.09.051 BindingDB Entry DOI: 10.7270/Q2WW7MRM
					More data for this Ligand-Target Pair
Co-chaperonin GroES (Escherichia coli)	BDBM50501245 (CHEMBL3899371) Show SMILES FC(F)(F)c1ccccc1S(=O)(=O)Nc1ccc(cc1)-c1nc2cc(NS(=O)(=O)c3ccccc3C(F)(F)F)ccc2o1 Show InChI InChI=1S/C27H17F6N3O5S2/c28-26(29,30)19-5-1-3-7-23(19)42(37,38)35-17-11-9-16(10-12-17)25-34-21-15-18(13-14-22(21)41-25)36-43(39,40)24-8-4-2-6-20(24)27(31,32)33/h1-15,35-36H	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 expressed in Escherichia coli DH5alpha/BL21 (DE3) assessed as inhibition of denatured MDH refolding preinc...				Bioorg Med Chem Lett 26: 5247-5253 (2016) Article DOI: 10.1016/j.bmcl.2016.09.051 BindingDB Entry DOI: 10.7270/Q2WW7MRM
					More data for this Ligand-Target Pair
Co-chaperonin GroES (Escherichia coli)	BDBM50501235 (CHEMBL3952045) Show SMILES COC(=O)c1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)-c1nc2cc(NS(=O)(=O)c3ccc(cc3)C(=O)OC)ccc2o1 Show InChI InChI=1S/C29H23N3O9S2/c1-39-28(33)19-5-12-23(13-6-19)42(35,36)31-21-9-3-18(4-10-21)27-30-25-17-22(11-16-26(25)41-27)32-43(37,38)24-14-7-20(8-15-24)29(34)40-2/h3-17,31-32H,1-2H3	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.60E+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 26: 5247-5253 (2016) Article DOI: 10.1016/j.bmcl.2016.09.051 BindingDB Entry DOI: 10.7270/Q2WW7MRM
					More data for this Ligand-Target Pair
Co-chaperonin GroES (Escherichia coli)	BDBM50450013 (CHEMBL3955935) Show SMILES [O-][N+](=O)c1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)-c1nc2cc(NS(=O)(=O)c3ccc(cc3)[N+]([O-])=O)ccc2o1 Show InChI InChI=1S/C25H17N5O9S2/c31-29(32)19-6-10-21(11-7-19)40(35,36)27-17-3-1-16(2-4-17)25-26-23-15-18(5-14-24(23)39-25)28-41(37,38)22-12-8-20(9-13-22)30(33)34/h1-15,27-28H	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.60E+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 26: 5247-5253 (2016) Article DOI: 10.1016/j.bmcl.2016.09.051 BindingDB Entry DOI: 10.7270/Q2WW7MRM
					More data for this Ligand-Target Pair
Co-chaperonin GroES (Escherichia coli)	BDBM50501231 (CHEMBL3915348) Show SMILES O=S(=O)(Nc1ccc(cc1)-c1nc2cc(NS(=O)(=O)c3ccccc3C#N)ccc2o1)c1ccccc1C#N Show InChI InChI=1S/C27H17N5O5S2/c28-16-19-5-1-3-7-25(19)38(33,34)31-21-11-9-18(10-12-21)27-30-23-15-22(13-14-24(23)37-27)32-39(35,36)26-8-4-2-6-20(26)17-29/h1-15,31-32H	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.20E+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 26: 5247-5253 (2016) Article DOI: 10.1016/j.bmcl.2016.09.051 BindingDB Entry DOI: 10.7270/Q2WW7MRM
					More data for this Ligand-Target Pair
Co-chaperonin GroES (Escherichia coli)	BDBM50501258 (CHEMBL3947125) Show SMILES O=S(=O)(Nc1ccc(cc1)-c1nc2cc(NS(=O)(=O)c3cccc4nonc34)ccc2o1)c1cccc2nonc12 Show InChI InChI=1S/C25H15N7O7S2/c33-40(34,21-5-1-3-17-23(21)29-38-27-17)31-15-9-7-14(8-10-15)25-26-19-13-16(11-12-20(19)37-25)32-41(35,36)22-6-2-4-18-24(22)30-39-28-18/h1-13,31-32H	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.20E+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 26: 5247-5253 (2016) Article DOI: 10.1016/j.bmcl.2016.09.051 BindingDB Entry DOI: 10.7270/Q2WW7MRM
					More data for this Ligand-Target Pair

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