BDBM50501230 CHEMBL3986320

SMILES Oc1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)-c1nc2cc(NS(=O)(=O)c3ccc(O)cc3)ccc2o1

InChI Key InChIKey=RQNGIDXZVIWXLT-UHFFFAOYSA-N

Data  10 IC50

Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 10 hits for monomerid = 50501230   

Target60 kDa heat shock protein, mitochondrial(Homo sapiens)
Indiana University

Curated by ChEMBL
LigandPNGBDBM50501230(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
Affinity DataIC50: 5.90E+4nMAssay Description:Inhibition of human mitochondrial HSP60/HSP10-ATPase activity expressed in Escherichia coli DH5alpha/BL21 (DE3) assessed as inhibition of denatured M...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCo-chaperonin GroES(Escherichia coli)
Indiana University

Curated by ChEMBL
LigandPNGBDBM50501230(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
Affinity DataIC50: 340nMAssay Description:Inhibition of Escherichia coli GroEL/GroES expressed in Escherichia coli DH5alpha/BL21 (DE3) assessed as inhibition of denatured MDH refolding preinc...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCo-chaperonin GroES(Escherichia coli)
Indiana University

Curated by ChEMBL
LigandPNGBDBM50501230(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
Affinity DataIC50: 310nMAssay Description:Inhibition of Escherichia coli GroEL/GroES-ATPase activity expressed in Escherichia coli DH5alpha/BL21 (DE3) assessed as inhibition of denatured MDH ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
Target60 kDa heat shock protein, mitochondrial(Homo sapiens)
Indiana University

Curated by ChEMBL
LigandPNGBDBM50501230(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
Affinity DataIC50: 1.10E+4nMAssay Description:Inhibition of human mitochondrial HSP60/HSP10 expressed in Escherichia coli DH5alpha/BL21 (DE3) assessed as inhibition of denatured MDH refolding pre...More 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
LigandPNGBDBM50501230(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
Affinity DataIC50: 2.70E+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
TargetCo-chaperonin GroES(Escherichia coli)
Indiana University

Curated by ChEMBL
LigandPNGBDBM50501230(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
Affinity DataIC50: 230nMAssay 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
Target60 kDa heat shock protein, mitochondrial(Homo sapiens)
Indiana University

Curated by ChEMBL
LigandPNGBDBM50501230(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
Affinity DataIC50: 1.40E+4nMAssay Description:Inhibition of human HSP60 expressed in Escherichia coli Rosetta 2(DE3)/human HSP10 expressed in Escherichia coli Rosetta 2(DE3) pLysS cells assessed ...More 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
LigandPNGBDBM50501230(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
Affinity DataIC50: 7.50E+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
TargetTYR_PHOSPHATASE_2 domain-containing protein(Mycobacterium tuberculosis)
Indiana University School of Medicine

Curated by ChEMBL
LigandPNGBDBM50501230(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
Affinity DataIC50: 1.20E+4nMAssay 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
TargetTyrosine-protein phosphatase non-receptor type 5(Homo sapiens (Human))
Indiana University School of Medicine

Curated by ChEMBL
LigandPNGBDBM50501230(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
Affinity DataIC50: 3.50E+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