Compile Data Set for Download or QSAR
Found 12 of ic50 for monomerid = 50450001
TargetTYR_PHOSPHATASE_2 domain-containing protein(Mycobacterium tuberculosis)
Indiana University School of Medicine

Curated by ChEMBL
LigandPNGBDBM50450001(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
Affinity DataIC50: 2.30E+3nMAssay Description:Inhibition of Mycobacterium tuberculosis His-tagged PtpB expressed in Escherichia coli Rosetta 2 (DE3) using pNPP as substrate after 30 mins by spect...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetChaperonin GroEL/Co-chaperonin GroES(Escherichia coli)
Indiana University School of Medicine

Curated by ChEMBL
LigandPNGBDBM50450001(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
Affinity DataIC50: 2.40E+3nMAssay Description:Inhibition of Escherichia coli GroEL expressed in Escherichia coliDH5alpha/Escherichia coli GroES expressed in Escherichia coli BL21 (DE3) assessed a...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCo-chaperonin GroES(Escherichia coli)
Indiana University School of Medicine

Curated by ChEMBL
LigandPNGBDBM50450001(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
Affinity DataIC50: 2.80E+3nMAssay Description:Inhibition of Escherichia coli GroEL/ES-mediated refolding of the denatured malate dehydrogenaseMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCo-chaperonin GroES(Escherichia coli)
Indiana University School of Medicine

Curated by ChEMBL
LigandPNGBDBM50450001(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
Affinity DataIC50: 5.60E+3nMAssay Description:Inhibition of Escherichia coli GroEL expressed in Escherichia coli DH5alpha/Escherichia coli GroES expressed in Escherichia coli BL21 (DE3) assessed ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCo-chaperonin GroES(Escherichia coli)
Indiana University School of Medicine

Curated by ChEMBL
LigandPNGBDBM50450001(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
Affinity DataIC50: 5.60E+3nMAssay Description:Inhibition of Escherichia coli GroEL/ES-mediated refolding of the denatured rhodaneseMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
Target60 kDa heat shock protein, mitochondrial(Homo sapiens)
Indiana University School of Medicine

Curated by ChEMBL
LigandPNGBDBM50450001(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
Affinity DataIC50: 5.90E+3nMAssay Description:Inhibition of human N-terminal octa-His-tagged HSP60 expressed in Escherichia coli Rosetta(DE3) pLysS/human HSP10 expressed in Escherichia coli Roset...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
Target60 kDa heat shock protein, mitochondrial(Homo sapiens)
Indiana University School of Medicine

Curated by ChEMBL
LigandPNGBDBM50450001(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
Affinity DataIC50: 6.50E+3nMAssay Description:Inhibition of human mitochondrial HSP60/10-mediated refolding of the denatured malate dehydrogenaseMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetTyrosine-protein phosphatase non-receptor type 1(Homo sapiens (Human))
Indiana University School of Medicine

Curated by ChEMBL
LigandPNGBDBM50450001(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
Affinity DataIC50: 1.10E+4nMAssay Description:Inhibition of human PTPN1 expressed in Escherichia coli Rosetta 2 (DE3) using pNPP as substrate after 45 mins by spectrophotometric methodMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetTyrosine-protein phosphatase non-receptor type 5(Homo sapiens (Human))
Indiana University School of Medicine

Curated by ChEMBL
LigandPNGBDBM50450001(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
Affinity DataIC50: 1.50E+4nMAssay Description:Inhibition of human PTPN5 expressed in Escherichia coli Rosetta 2 (DE3) using pNPP as substrate after 45 mins by spectrophotometric methodMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetTyrosine-protein phosphatase non-receptor type 2(Homo sapiens (Human))
Indiana University School of Medicine

Curated by ChEMBL
LigandPNGBDBM50450001(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
Affinity DataIC50: 2.50E+4nMAssay Description:Inhibition of human PTPN2 expressed in Escherichia coli Rosetta 2 (DE3) using pNPP as substrate after 45 mins by spectrophotometric methodMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetThiosulfate sulfurtransferase(Homo sapiens)
Indiana University School of Medicine

Curated by ChEMBL
LigandPNGBDBM50450001(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
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of refolded Rhodanese (unknown origin)-mediated conversion of cyanide to thiocyanate treated with compound after refolding of the denature...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetThiosulfate sulfurtransferase(Homo sapiens)
Indiana University School of Medicine

Curated by ChEMBL
LigandPNGBDBM50450001(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
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of refolded rhodanese (unknown origin) preincubated with Escherichia coli GroEL/GroES for 60 mins by measuring MDH enzyme activity using s...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid