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Compile Data Set for Download or QSAR

Found 490 hits with Last Name = 'horwich' and Initial = 'al'   
Target/Host
(Institution)		LigandTarget/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		pHTemp
°C
Co-chaperonin GroES


(Escherichia coli)		BDBM50495815
PNG
(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)
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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
PNG
(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)
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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
PNG
(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)
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Indiana University

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli GroEL/GroES using Escherichia coli GroEL expressed in Escherichia coli DH5alpha cells and Escherichia coli GroES expre...

Bioorg Med Chem Lett 26: 3127-3134 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.089
BindingDB Entry DOI: 10.7270/Q22J6FW2
More data for this
Ligand-Target Pair
Co-chaperonin GroES


(Escherichia coli)		BDBM50501230
PNG
(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
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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
PNG
(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
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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)		BDBM50495826
PNG
(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)
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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
PNG
(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)
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Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli GroEL/GroES using Escherichia coli GroEL expressed in Escherichia coli DH5alpha cells and Escherichia coli GroES expre...

Bioorg Med Chem Lett 26: 3127-3134 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.089
BindingDB Entry DOI: 10.7270/Q22J6FW2
More data for this
Ligand-Target Pair
Co-chaperonin GroES


(Escherichia coli)		BDBM50501263
PNG
(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
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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)		BDBM50495801
PNG
(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-
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Assay Description
Inhibition of Escherichia coli GroEL/GroES using Escherichia coli GroEL expressed in Escherichia coli DH5alpha cells and Escherichia coli GroES expre...

Bioorg Med Chem Lett 26: 3127-3134 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.089
BindingDB Entry DOI: 10.7270/Q22J6FW2
More data for this
Ligand-Target Pair
Co-chaperonin GroES


(Escherichia coli)		BDBM82190
PNG
(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)
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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
PNG
(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-
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Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli GroEL/GroES using Escherichia coli GroEL expressed in Escherichia coli DH5alpha cells and Escherichia coli GroES expre...

Bioorg Med Chem Lett 26: 3127-3134 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.089
BindingDB Entry DOI: 10.7270/Q22J6FW2
More data for this
Ligand-Target Pair
Co-chaperonin GroES


(Escherichia coli)		BDBM50495822
PNG
(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-
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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)		BDBM50501239
PNG
(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
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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)		BDBM42034
PNG
(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)
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Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli GroEL/GroES using Escherichia coli GroEL expressed in Escherichia coli DH5alpha cells and Escherichia coli GroES expre...

Bioorg Med Chem Lett 26: 3127-3134 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.089
BindingDB Entry DOI: 10.7270/Q22J6FW2
More data for this
Ligand-Target Pair
Co-chaperonin GroES


(Escherichia coli)		BDBM50501263
PNG
(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
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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)		BDBM50495814
PNG
(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+
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Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli GroEL/GroES using Escherichia coli GroEL expressed in Escherichia coli DH5alpha cells and Escherichia coli GroES expre...

Bioorg Med Chem Lett 26: 3127-3134 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.089
BindingDB Entry DOI: 10.7270/Q22J6FW2
More data for this
Ligand-Target Pair
Co-chaperonin GroES


(Escherichia coli)		BDBM50495818
PNG
(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)
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Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli GroEL/GroES using Escherichia coli GroEL expressed in Escherichia coli DH5alpha cells and Escherichia coli GroES expre...

Bioorg Med Chem Lett 26: 3127-3134 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.089
BindingDB Entry DOI: 10.7270/Q22J6FW2
More data for this
Ligand-Target Pair
Co-chaperonin GroES


(Escherichia coli)		BDBM50501239
PNG
(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
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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)		BDBM50495821
PNG
(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+
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Indiana University

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli GroEL/GroES using Escherichia coli GroEL expressed in Escherichia coli DH5alpha cells and Escherichia coli GroES expre...

Bioorg Med Chem Lett 26: 3127-3134 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.089
BindingDB Entry DOI: 10.7270/Q22J6FW2
More data for this
Ligand-Target Pair
Co-chaperonin GroES


(Escherichia coli)		BDBM50495801
PNG
(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-
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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)		BDBM50450009
PNG
(CHEMBL4161583)
Show SMILES [O-][N+](=O)c1cc(ccc1Cl)S(=O)(=O)Nc1ccc2oc(nc2c1)-c1ccc(NS(=O)(=O)c2ccc(Cl)s2)cc1
Show InChI InChI=1S/C23H14Cl2N4O7S3/c24-17-7-6-16(12-19(17)29(30)31)38(32,33)28-15-5-8-20-18(11-15)26-23(36-20)13-1-3-14(4-2-13)27-39(34,35)22-10-9-21(25)37-22/h1-12,27-28H
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Indiana University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli GroEL expressed in Escherichia coli DH5alpha/Escherichia coli GroES expressed in Escherichia coli BL21 (DE3) assessed ...

J Med Chem 61: 7345-7357 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00989
BindingDB Entry DOI: 10.7270/Q270840G
More data for this
Ligand-Target Pair
60 kDa heat shock protein, mitochondrial


(Homo sapiens)		BDBM50450009
PNG
(CHEMBL4161583)
Show SMILES [O-][N+](=O)c1cc(ccc1Cl)S(=O)(=O)Nc1ccc2oc(nc2c1)-c1ccc(NS(=O)(=O)c2ccc(Cl)s2)cc1
Show InChI InChI=1S/C23H14Cl2N4O7S3/c24-17-7-6-16(12-19(17)29(30)31)38(32,33)28-15-5-8-20-18(11-15)26-23(36-20)13-1-3-14(4-2-13)27-39(34,35)22-10-9-21(25)37-22/h1-12,27-28H
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Indiana University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal octa-His-tagged HSP60 expressed in Escherichia coli Rosetta(DE3) pLysS/human HSP10 expressed in Escherichia coli Roset...

J Med Chem 61: 7345-7357 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00989
BindingDB Entry DOI: 10.7270/Q270840G
More data for this
Ligand-Target Pair
Co-chaperonin GroES


(Escherichia coli)		BDBM50450009
PNG
(CHEMBL4161583)
Show SMILES [O-][N+](=O)c1cc(ccc1Cl)S(=O)(=O)Nc1ccc2oc(nc2c1)-c1ccc(NS(=O)(=O)c2ccc(Cl)s2)cc1
Show InChI InChI=1S/C23H14Cl2N4O7S3/c24-17-7-6-16(12-19(17)29(30)31)38(32,33)28-15-5-8-20-18(11-15)26-23(36-20)13-1-3-14(4-2-13)27-39(34,35)22-10-9-21(25)37-22/h1-12,27-28H
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Indiana University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli GroEL expressed in Escherichia coliDH5alpha/Escherichia coli GroES expressed in Escherichia coli BL21 (DE3) assessed a...

J Med Chem 61: 7345-7357 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00989
BindingDB Entry DOI: 10.7270/Q270840G
More data for this
Ligand-Target Pair
Co-chaperonin GroES


(Escherichia coli)		BDBM50495814
PNG
(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+
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Indiana University

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli GroEL/GroES using Escherichia coli GroEL expressed in Escherichia coli DH5alpha cells and Escherichia coli GroES expre...

Bioorg Med Chem Lett 26: 3127-3134 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.089
BindingDB Entry DOI: 10.7270/Q22J6FW2
More data for this
Ligand-Target Pair
Co-chaperonin GroES


(Escherichia coli)		BDBM50495828
PNG
(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+
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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
PNG
(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-
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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)		BDBM50450002
PNG
(CHEMBL4176281)
Show SMILES NCc1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)-c1nc2cc(NS(=O)(=O)c3ccc(Cl)s3)ccc2o1
Show InChI InChI=1S/C24H19ClN4O5S3/c25-22-11-12-23(35-22)37(32,33)29-18-7-10-21-20(13-18)27-24(34-21)16-3-5-17(6-4-16)28-36(30,31)19-8-1-15(14-26)2-9-19/h1-13,28-29H,14,26H2
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Indiana University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli GroEL expressed in Escherichia coliDH5alpha/Escherichia coli GroES expressed in Escherichia coli BL21 (DE3) assessed a...

J Med Chem 61: 7345-7357 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00989
BindingDB Entry DOI: 10.7270/Q270840G
More data for this
Ligand-Target Pair
Co-chaperonin GroES


(Escherichia coli)		BDBM46190
PNG
(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)
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n/an/a 1.40E+3n/an/an/an/an/an/a



Indiana University

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli GroEL/GroES using Escherichia coli GroEL expressed in Escherichia coli DH5alpha cells and Escherichia coli GroES expre...

Bioorg Med Chem Lett 26: 3127-3134 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.089
BindingDB Entry DOI: 10.7270/Q22J6FW2
More data for this
Ligand-Target Pair
Co-chaperonin GroES


(Escherichia coli)		BDBM50468089
PNG
(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)
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Indiana University

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli GroEL/GroES using Escherichia coli GroEL expressed in Escherichia coli DH5alpha cells and Escherichia coli GroES expre...

Bioorg Med Chem Lett 26: 3127-3134 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.089
BindingDB Entry DOI: 10.7270/Q22J6FW2
More data for this
Ligand-Target Pair
Co-chaperonin GroES


(Escherichia coli)		BDBM50501234
PNG
(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
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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)		BDBM50495821
PNG
(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+
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Indiana University

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli GroEL/GroES using Escherichia coli GroEL expressed in Escherichia coli DH5alpha cells and Escherichia coli GroES expre...

Bioorg Med Chem Lett 26: 3127-3134 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.089
BindingDB Entry DOI: 10.7270/Q22J6FW2
More data for this
Ligand-Target Pair
Co-chaperonin GroES


(Escherichia coli)		BDBM50468089
PNG
(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)
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Indiana University

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli GroEL/GroES using Escherichia coli GroEL expressed in Escherichia coli DH5alpha cells and Escherichia coli GroES expre...

Bioorg Med Chem Lett 26: 3127-3134 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.089
BindingDB Entry DOI: 10.7270/Q22J6FW2
More data for this
Ligand-Target Pair
Co-chaperonin GroES


(Escherichia coli)		BDBM50450012
PNG
(CHEMBL4167333)
Show SMILES [O-][N+](=O)c1cc(ccc1Cl)S(=O)(=O)Nc1ccc(cc1)-c1nc2cc(NS(=O)(=O)c3ccc(Cl)s3)ccc2o1
Show InChI InChI=1S/C23H14Cl2N4O7S3/c24-17-7-6-16(12-19(17)29(30)31)38(32,33)27-14-3-1-13(2-4-14)23-26-18-11-15(5-8-20(18)36-23)28-39(34,35)22-10-9-21(25)37-22/h1-12,27-28H
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Indiana University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli GroEL expressed in Escherichia coliDH5alpha/Escherichia coli GroES expressed in Escherichia coli BL21 (DE3) assessed a...

J Med Chem 61: 7345-7357 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00989
BindingDB Entry DOI: 10.7270/Q270840G
More data for this
Ligand-Target Pair
60 kDa heat shock protein, mitochondrial


(Homo sapiens)		BDBM50495821
PNG
(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+
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Indiana University

Curated by ChEMBL


Assay Description
Inhibition of human HSP60/HSP10 expressed in Escherichia coli Rosetta2(DE3) cells assessed as inhibition of denatured pig heart MDH refolding by meas...

Bioorg Med Chem Lett 26: 3127-3134 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.089
BindingDB Entry DOI: 10.7270/Q22J6FW2
More data for this
Ligand-Target Pair
Co-chaperonin GroES


(Escherichia coli)		BDBM50501234
PNG
(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
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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)		BDBM50468089
PNG
(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)
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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)		BDBM50501254
PNG
(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
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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)		BDBM50495812
PNG
(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)
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Indiana University

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli GroEL/GroES using Escherichia coli GroEL expressed in Escherichia coli DH5alpha cells and Escherichia coli GroES expre...

Bioorg Med Chem Lett 26: 3127-3134 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.089
BindingDB Entry DOI: 10.7270/Q22J6FW2
More data for this
Ligand-Target Pair
Co-chaperonin GroES


(Escherichia coli)		BDBM50495821
PNG
(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+
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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
60 kDa heat shock protein, mitochondrial


(Homo sapiens)		BDBM50495818
PNG
(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)
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Indiana University

Curated by ChEMBL


Assay Description
Inhibition of human HSP60/HSP10 expressed in Escherichia coli Rosetta2(DE3) cells assessed as inhibition of denatured pig heart MDH refolding by meas...

Bioorg Med Chem Lett 26: 3127-3134 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.089
BindingDB Entry DOI: 10.7270/Q22J6FW2
More data for this
Ligand-Target Pair
Co-chaperonin GroES


(Escherichia coli)		BDBM50450012
PNG
(CHEMBL4167333)
Show SMILES [O-][N+](=O)c1cc(ccc1Cl)S(=O)(=O)Nc1ccc(cc1)-c1nc2cc(NS(=O)(=O)c3ccc(Cl)s3)ccc2o1
Show InChI InChI=1S/C23H14Cl2N4O7S3/c24-17-7-6-16(12-19(17)29(30)31)38(32,33)27-14-3-1-13(2-4-14)23-26-18-11-15(5-8-20(18)36-23)28-39(34,35)22-10-9-21(25)37-22/h1-12,27-28H
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Indiana University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli GroEL expressed in Escherichia coli DH5alpha/Escherichia coli GroES expressed in Escherichia coli BL21 (DE3) assessed ...

J Med Chem 61: 7345-7357 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00989
BindingDB Entry DOI: 10.7270/Q270840G
More data for this
Ligand-Target Pair
60 kDa heat shock protein, mitochondrial


(Homo sapiens)		BDBM50450012
PNG
(CHEMBL4167333)
Show SMILES [O-][N+](=O)c1cc(ccc1Cl)S(=O)(=O)Nc1ccc(cc1)-c1nc2cc(NS(=O)(=O)c3ccc(Cl)s3)ccc2o1
Show InChI InChI=1S/C23H14Cl2N4O7S3/c24-17-7-6-16(12-19(17)29(30)31)38(32,33)27-14-3-1-13(2-4-14)23-26-18-11-15(5-8-20(18)36-23)28-39(34,35)22-10-9-21(25)37-22/h1-12,27-28H
PDB

UniProtKB/SwissProt

antibodypedia
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n/an/a 2.10E+3n/an/an/an/an/an/a



Indiana University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal octa-His-tagged HSP60 expressed in Escherichia coli Rosetta(DE3) pLysS/human HSP10 expressed in Escherichia coli Roset...

J Med Chem 61: 7345-7357 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00989
BindingDB Entry DOI: 10.7270/Q270840G
More data for this
Ligand-Target Pair
Co-chaperonin GroES


(Escherichia coli)		BDBM50495808
PNG
(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)
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UniProtKB/TrEMBL

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n/an/a 2.10E+3n/an/an/an/an/an/a



Indiana University

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli GroEL/GroES using Escherichia coli GroEL expressed in Escherichia coli DH5alpha cells and Escherichia coli GroES expre...

Bioorg Med Chem Lett 26: 3127-3134 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.089
BindingDB Entry DOI: 10.7270/Q22J6FW2
More data for this
Ligand-Target Pair
Co-chaperonin GroES


(Escherichia coli)		BDBM50450004
PNG
(CHEMBL4160098)
Show SMILES FC(F)(F)c1cccc(c1)S(=O)(=O)Nc1ccc(cc1)-c1nc2cc(NS(=O)(=O)c3ccc(Cl)s3)ccc2o1
Show InChI InChI=1S/C24H15ClF3N3O5S3/c25-21-10-11-22(37-21)39(34,35)31-17-8-9-20-19(13-17)29-23(36-20)14-4-6-16(7-5-14)30-38(32,33)18-3-1-2-15(12-18)24(26,27)28/h1-13,30-31H
PDB

UniProtKB/TrEMBL

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n/an/a 2.20E+3n/an/an/an/an/an/a



Indiana University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli GroEL expressed in Escherichia coliDH5alpha/Escherichia coli GroES expressed in Escherichia coli BL21 (DE3) assessed a...

J Med Chem 61: 7345-7357 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00989
BindingDB Entry DOI: 10.7270/Q270840G
More data for this
Ligand-Target Pair
Co-chaperonin GroES


(Escherichia coli)		BDBM50495819
PNG
(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+
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n/an/a 2.30E+3n/an/an/an/an/an/a



Indiana University

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli GroEL/GroES using Escherichia coli GroEL expressed in Escherichia coli DH5alpha cells and Escherichia coli GroES expre...

Bioorg Med Chem Lett 26: 3127-3134 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.089
BindingDB Entry DOI: 10.7270/Q22J6FW2
More data for this
Ligand-Target Pair
Co-chaperonin GroES


(Escherichia coli)		BDBM42034
PNG
(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)
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Article
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n/an/a 2.30E+3n/an/an/an/an/an/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)		BDBM50495808
PNG
(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)
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n/an/a 2.40E+3n/an/an/an/an/an/a



Indiana University

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli GroEL/GroES using Escherichia coli GroEL expressed in Escherichia coli DH5alpha cells and Escherichia coli GroES expre...

Bioorg Med Chem Lett 26: 3127-3134 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.089
BindingDB Entry DOI: 10.7270/Q22J6FW2
More data for this
Ligand-Target Pair
Co-chaperonin GroES


(Escherichia coli)		BDBM50495814
PNG
(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

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n/an/a 2.40E+3n/an/an/an/an/an/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
Chaperonin GroEL/Co-chaperonin GroES


(Escherichia coli)		BDBM50450001
PNG
(CHEMBL4162794)
Show SMILES Clc1ccc(s1)S(=O)(=O)Nc1ccc(cc1)-c1nc2cc(NS(=O)(=O)c3ccc(Cl)s3)ccc2o1
Show InChI InChI=1S/C21H13Cl2N3O5S4/c22-17-7-9-19(32-17)34(27,28)25-13-3-1-12(2-4-13)21-24-15-11-14(5-6-16(15)31-21)26-35(29,30)20-10-8-18(23)33-20/h1-11,25-26H
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

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B.MOAD
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n/an/a 2.40E+3n/an/an/an/an/an/a



Indiana University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli GroEL expressed in Escherichia coliDH5alpha/Escherichia coli GroES expressed in Escherichia coli BL21 (DE3) assessed a...

J Med Chem 61: 7345-7357 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00989
BindingDB Entry DOI: 10.7270/Q270840G
More data for this
Ligand-Target Pair
60 kDa heat shock protein, mitochondrial


(Homo sapiens)		BDBM50450007
PNG
(CHEMBL4169499)
Show SMILES FC(F)(F)c1cc(ccc1Cl)S(=O)(=O)Nc1ccc2oc(nc2c1)-c1ccc(NS(=O)(=O)c2ccc(Cl)s2)cc1
Show InChI InChI=1S/C24H14Cl2F3N3O5S3/c25-18-7-6-16(12-17(18)24(27,28)29)39(33,34)32-15-5-8-20-19(11-15)30-23(37-20)13-1-3-14(4-2-13)31-40(35,36)22-10-9-21(26)38-22/h1-12,31-32H
PDB

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n/an/a 2.40E+3n/an/an/an/an/an/a



Indiana University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal octa-His-tagged HSP60 expressed in Escherichia coli Rosetta(DE3) pLysS/human HSP10 expressed in Escherichia coli Roset...

J Med Chem 61: 7345-7357 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00989
BindingDB Entry DOI: 10.7270/Q270840G
More data for this
Ligand-Target Pair
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