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Compile Data Set for Download or QSAR

Found 21 hits Enz. Inhib. hit(s) with Target = 'CDGSH iron-sulfur domain-containing protein 1' AND taxid = 9606   
Target
(Institution)
LigandTarget
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
CDGSH iron-sulfur domain-containing protein 1


(Homo sapiens)
BDBM26646
PNG
((5Z)-5-[(3-bromophenyl)methylidene]-1,3-thiazolidi...)
Show SMILES OC1=NC(=O)C(S1)=Cc1cccc(Br)c1
Show InChI InChI=1S/C10H6BrNO2S/c11-7-3-1-2-6(4-7)5-8-9(13)12-10(14)15-8/h1-5H,(H,12,13,14)
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n/an/a 860n/an/an/an/an/an/a



Northeast Ohio Medical University

Curated by ChEMBL


Assay Description
Displacement of [3H]-rosiglitazone from human recombinant C-terminal His-tagged cytosolic domain of mitoNEET (32-108) by scintillation proximity assa...


Bioorg Med Chem Lett 21: 5498-501 (2011)

More data for this
Ligand-Target Pair
CDGSH iron-sulfur domain-containing protein 1


(Homo sapiens)
BDBM50340098
PNG
(5-(4-hydroxy-3-methoxybenzylidene)-2-thioxothiazol...)
Show SMILES COc1cc(C=C2SC(S)=NC2=O)ccc1O
Show InChI InChI=1S/C11H9NO3S2/c1-15-8-4-6(2-3-7(8)13)5-9-10(14)12-11(16)17-9/h2-5,13H,1H3,(H,12,14,16)
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n/an/a 1.73E+3n/an/an/an/an/an/a



Northeast Ohio Medical University

Curated by ChEMBL


Assay Description
Displacement of [3H]-rosiglitazone from human recombinant C-terminal His-tagged cytosolic domain of mitoNEET (32-108) by scintillation proximity assa...


Bioorg Med Chem Lett 21: 5498-501 (2011)

More data for this
Ligand-Target Pair
CDGSH iron-sulfur domain-containing protein 1


(Homo sapiens)
BDBM50352038
PNG
(CHEMBL1823806)
Show SMILES OC1=NC(=O)C(S1)=Cc1cc(Br)c(O)cc1Br
Show InChI InChI=1S/C10H5Br2NO3S/c11-5-3-7(14)6(12)1-4(5)2-8-9(15)13-10(16)17-8/h1-3,14H,(H,13,15,16)
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n/an/a 2.93E+3n/an/an/an/an/an/a



Northeast Ohio Medical University

Curated by ChEMBL


Assay Description
Displacement of [3H]-rosiglitazone from human recombinant C-terminal His-tagged cytosolic domain of mitoNEET (32-108) by scintillation proximity assa...


Bioorg Med Chem Lett 21: 5498-501 (2011)

More data for this
Ligand-Target Pair
CDGSH iron-sulfur domain-containing protein 1


(Homo sapiens)
BDBM50324735
PNG
((5E)-5-(QUINOXALIN-6-YLMETHYLENE)-1,3-THIAZOLIDINE...)
Show SMILES OC1=NC(=O)C(S1)=Cc1ccc2nccnc2c1
Show InChI InChI=1S/C12H7N3O2S/c16-11-10(18-12(17)15-11)6-7-1-2-8-9(5-7)14-4-3-13-8/h1-6H,(H,15,16,17)
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n/an/a 3.26E+3n/an/an/an/an/an/a



Northeast Ohio Medical University

Curated by ChEMBL


Assay Description
Displacement of [3H]-rosiglitazone from human recombinant C-terminal His-tagged cytosolic domain of mitoNEET (32-108) by scintillation proximity assa...


Bioorg Med Chem Lett 21: 5498-501 (2011)

More data for this
Ligand-Target Pair
CDGSH iron-sulfur domain-containing protein 1


(Homo sapiens)
BDBM50322615
PNG
(CHEMBL1173685 | CHEMBL1823816 | Resveratrol Potass...)
Show SMILES Oc1ccc(\C=C\c2cc(O)cc(OS([O-])(=O)=O)c2)cc1
Show InChI InChI=1S/C14H12O6S/c15-12-5-3-10(4-6-12)1-2-11-7-13(16)9-14(8-11)20-21(17,18)19/h1-9,15-16H,(H,17,18,19)/p-1/b2-1+
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n/an/a 3.36E+3n/an/an/an/an/an/a



Northeast Ohio Medical University

Curated by ChEMBL


Assay Description
Displacement of [3H]-rosiglitazone from human recombinant C-terminal His-tagged cytosolic domain of mitoNEET (32-108) by scintillation proximity assa...


Bioorg Med Chem Lett 21: 5498-501 (2011)

More data for this
Ligand-Target Pair
CDGSH iron-sulfur domain-containing protein 1


(Homo sapiens)
BDBM50350492
PNG
(CHEMBL1814643)
Show SMILES COc1cc(C=C2SC(S)=NC2=O)c(OC)cc1O
Show InChI InChI=1S/C12H11NO4S2/c1-16-8-5-7(14)9(17-2)3-6(8)4-10-11(15)13-12(18)19-10/h3-5,14H,1-2H3,(H,13,15,18)
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n/an/a 4.47E+3n/an/an/an/an/an/a



Northeast Ohio Medical University

Curated by ChEMBL


Assay Description
Displacement of [3H]-rosiglitazone from human recombinant C-terminal His-tagged cytosolic domain of mitoNEET (32-108) by scintillation proximity assa...


Bioorg Med Chem Lett 21: 5498-501 (2011)

More data for this
Ligand-Target Pair
CDGSH iron-sulfur domain-containing protein 1


(Homo sapiens)
BDBM50350502
PNG
(CHEMBL1814651)
Show SMILES CN1C(=S)S\C(=C\c2ccc(Cl)cc2)C1=O
Show InChI InChI=1S/C11H8ClNOS2/c1-13-10(14)9(16-11(13)15)6-7-2-4-8(12)5-3-7/h2-6H,1H3/b9-6+
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n/an/a 4.98E+3n/an/an/an/an/an/a



Northeast Ohio Medical University

Curated by ChEMBL


Assay Description
Displacement of [3H]-rosiglitazone from human recombinant C-terminal His-tagged cytosolic domain of mitoNEET (32-108) by scintillation proximity assa...


Bioorg Med Chem Lett 21: 5498-501 (2011)

More data for this
Ligand-Target Pair
CDGSH iron-sulfur domain-containing protein 1


(Homo sapiens)
BDBM50352037
PNG
(CHEMBL1823804)
Show SMILES Oc1[nH]c(=O)sc1Cc1ccc2OC(F)(F)Oc2c1
Show InChI InChI=1S/C11H7F2NO4S/c12-11(13)17-6-2-1-5(3-7(6)18-11)4-8-9(15)14-10(16)19-8/h1-3,15H,4H2,(H,14,16)
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n/an/a 5.23E+3n/an/an/an/an/an/a



Northeast Ohio Medical University

Curated by ChEMBL


Assay Description
Displacement of [3H]-rosiglitazone from human recombinant C-terminal His-tagged cytosolic domain of mitoNEET (32-108) by scintillation proximity assa...


Bioorg Med Chem Lett 21: 5498-501 (2011)

More data for this
Ligand-Target Pair
CDGSH iron-sulfur domain-containing protein 1


(Homo sapiens)
BDBM50350504
PNG
(CHEMBL1814639)
Show SMILES SC1=NC(=O)C(S1)=Cc1ccncc1
Show InChI InChI=1S/C9H6N2OS2/c12-8-7(14-9(13)11-8)5-6-1-3-10-4-2-6/h1-5H,(H,11,12,13)
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n/an/a 5.97E+3n/an/an/an/an/an/a



Northeast Ohio Medical University

Curated by ChEMBL


Assay Description
Displacement of [3H]-rosiglitazone from human recombinant C-terminal His-tagged cytosolic domain of mitoNEET (32-108) by scintillation proximity assa...


Bioorg Med Chem Lett 21: 5498-501 (2011)

More data for this
Ligand-Target Pair
CDGSH iron-sulfur domain-containing protein 1


(Homo sapiens)
BDBM50350486
PNG
(CHEMBL602048)
Show SMILES CC(C)(C)c1cc(Cc2sc(=O)[nH]c2O)cc(c1O)C(C)(C)C
Show InChI InChI=1S/C18H25NO3S/c1-17(2,3)11-7-10(8-12(14(11)20)18(4,5)6)9-13-15(21)19-16(22)23-13/h7-8,20-21H,9H2,1-6H3,(H,19,22)
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n/an/a 7.36E+3n/an/an/an/an/an/a



Northeast Ohio Medical University

Curated by ChEMBL


Assay Description
Displacement of [3H]-rosiglitazone from human recombinant C-terminal His-tagged cytosolic domain of mitoNEET (32-108) by scintillation proximity assa...


Bioorg Med Chem Lett 21: 5498-501 (2011)

More data for this
Ligand-Target Pair
CDGSH iron-sulfur domain-containing protein 1


(Homo sapiens)
BDBM50350487
PNG
(CHEMBL1814635)
Show SMILES Cc1cc(Cc2sc(=O)[nH]c2O)cc(C)c1O
Show InChI InChI=1S/C12H13NO3S/c1-6-3-8(4-7(2)10(6)14)5-9-11(15)13-12(16)17-9/h3-4,14-15H,5H2,1-2H3,(H,13,16)
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n/an/a 9.56E+3n/an/an/an/an/an/a



Northeast Ohio Medical University

Curated by ChEMBL


Assay Description
Displacement of [3H]-rosiglitazone from human recombinant C-terminal His-tagged cytosolic domain of mitoNEET (32-108) by scintillation proximity assa...


Bioorg Med Chem Lett 21: 5498-501 (2011)

More data for this
Ligand-Target Pair
CDGSH iron-sulfur domain-containing protein 1


(Homo sapiens)
BDBM50350490
PNG
(CHEMBL1814638)
Show SMILES OC(=O)CCN1C(=S)S\C(=C\c2ccccc2)C1=O
Show InChI InChI=1S/C13H11NO3S2/c15-11(16)6-7-14-12(17)10(19-13(14)18)8-9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H,15,16)/b10-8+
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n/an/a 9.63E+3n/an/an/an/an/an/a



Northeast Ohio Medical University

Curated by ChEMBL


Assay Description
Displacement of [3H]-rosiglitazone from human recombinant C-terminal His-tagged cytosolic domain of mitoNEET (32-108) by scintillation proximity assa...


Bioorg Med Chem Lett 21: 5498-501 (2011)

More data for this
Ligand-Target Pair
CDGSH iron-sulfur domain-containing protein 1


(Homo sapiens)
BDBM50350497
PNG
(CHEMBL1814649)
Show SMILES OC1=NC(=O)C(S1)=CC(=O)Nc1ccccc1
Show InChI InChI=1S/C11H8N2O3S/c14-9(12-7-4-2-1-3-5-7)6-8-10(15)13-11(16)17-8/h1-6H,(H,12,14)(H,13,15,16)
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n/an/a 1.11E+4n/an/an/an/an/an/a



Northeast Ohio Medical University

Curated by ChEMBL


Assay Description
Displacement of [3H]-rosiglitazone from human recombinant C-terminal His-tagged cytosolic domain of mitoNEET (32-108) by scintillation proximity assa...


Bioorg Med Chem Lett 21: 5498-501 (2011)

More data for this
Ligand-Target Pair
CDGSH iron-sulfur domain-containing protein 1


(Homo sapiens)
BDBM50350499
PNG
(CHEMBL1814636)
Show SMILES Cc1cc(C)cc(Cc2sc(=O)[nH]c2O)c1
Show InChI InChI=1S/C12H13NO2S/c1-7-3-8(2)5-9(4-7)6-10-11(14)13-12(15)16-10/h3-5,14H,6H2,1-2H3,(H,13,15)
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n/an/a 1.33E+4n/an/an/an/an/an/a



Northeast Ohio Medical University

Curated by ChEMBL


Assay Description
Displacement of [3H]-rosiglitazone from human recombinant C-terminal His-tagged cytosolic domain of mitoNEET (32-108) by scintillation proximity assa...


Bioorg Med Chem Lett 21: 5498-501 (2011)

More data for this
Ligand-Target Pair
CDGSH iron-sulfur domain-containing protein 1


(Homo sapiens)
BDBM50350489
PNG
(CHEMBL1814637)
Show SMILES OC1=NC(=O)C(S1)=CC(=O)Nc1cccc(O)c1
Show InChI InChI=1S/C11H8N2O4S/c14-7-3-1-2-6(4-7)12-9(15)5-8-10(16)13-11(17)18-8/h1-5,14H,(H,12,15)(H,13,16,17)
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n/an/a 1.37E+4n/an/an/an/an/an/a



Northeast Ohio Medical University

Curated by ChEMBL


Assay Description
Displacement of [3H]-rosiglitazone from human recombinant C-terminal His-tagged cytosolic domain of mitoNEET (32-108) by scintillation proximity assa...


Bioorg Med Chem Lett 21: 5498-501 (2011)

More data for this
Ligand-Target Pair
CDGSH iron-sulfur domain-containing protein 1


(Homo sapiens)
BDBM50350488
PNG
(CHEMBL1061)
Show SMILES Oc1[nH]c(=O)sc1Cc1ccc(O)cc1
Show InChI InChI=1S/C10H9NO3S/c12-7-3-1-6(2-4-7)5-8-9(13)11-10(14)15-8/h1-4,12-13H,5H2,(H,11,14)
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n/an/a 1.40E+4n/an/an/an/an/an/a



Northeast Ohio Medical University

Curated by ChEMBL


Assay Description
Displacement of [3H]-rosiglitazone from human recombinant C-terminal His-tagged cytosolic domain of mitoNEET (32-108) by scintillation proximity assa...


Bioorg Med Chem Lett 21: 5498-501 (2011)

More data for this
Ligand-Target Pair
CDGSH iron-sulfur domain-containing protein 1


(Homo sapiens)
BDBM50350498
PNG
(CHEMBL1814650)
Show SMILES CN1C(=S)S\C(=C\c2ccccc2)C1=O
Show InChI InChI=1S/C11H9NOS2/c1-12-10(13)9(15-11(12)14)7-8-5-3-2-4-6-8/h2-7H,1H3/b9-7+
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n/an/a 1.51E+4n/an/an/an/an/an/a



Northeast Ohio Medical University

Curated by ChEMBL


Assay Description
Displacement of [3H]-rosiglitazone from human recombinant C-terminal His-tagged cytosolic domain of mitoNEET (32-108) by scintillation proximity assa...


Bioorg Med Chem Lett 21: 5498-501 (2011)

More data for this
Ligand-Target Pair
CDGSH iron-sulfur domain-containing protein 1


(Homo sapiens)
BDBM50352035
PNG
(CHEMBL1823809)
Show SMILES CCCN1C(=O)S\C(=C\c2ccncc2)C1=O
Show InChI InChI=1S/C12H12N2O2S/c1-2-7-14-11(15)10(17-12(14)16)8-9-3-5-13-6-4-9/h3-6,8H,2,7H2,1H3/b10-8+
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n/an/a 1.94E+4n/an/an/an/an/an/a



Northeast Ohio Medical University

Curated by ChEMBL


Assay Description
Displacement of [3H]-rosiglitazone from human recombinant C-terminal His-tagged cytosolic domain of mitoNEET (32-108) by scintillation proximity assa...


Bioorg Med Chem Lett 21: 5498-501 (2011)

More data for this
Ligand-Target Pair
CDGSH iron-sulfur domain-containing protein 1


(Homo sapiens)
BDBM50350501
PNG
(CHEMBL1814642)
Show SMILES OC1=NC(=O)C(S1)=Cc1ccncc1
Show InChI InChI=1S/C9H6N2O2S/c12-8-7(14-9(13)11-8)5-6-1-3-10-4-2-6/h1-5H,(H,11,12,13)
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n/an/a 2.23E+4n/an/an/an/an/an/a



Northeast Ohio Medical University

Curated by ChEMBL


Assay Description
Displacement of [3H]-rosiglitazone from human recombinant C-terminal His-tagged cytosolic domain of mitoNEET (32-108) by scintillation proximity assa...


Bioorg Med Chem Lett 21: 5498-501 (2011)

More data for this
Ligand-Target Pair
CDGSH iron-sulfur domain-containing protein 1


(Homo sapiens)
BDBM50324736
PNG
(3-(2-aminoethyl)-5-(2-methoxybenzylidene)thiazolid...)
Show SMILES COc1ccccc1\C=C1/SC(=O)N(CCN)C1=O
Show InChI InChI=1S/C13H14N2O3S/c1-18-10-5-3-2-4-9(10)8-11-12(16)15(7-6-14)13(17)19-11/h2-5,8H,6-7,14H2,1H3/b11-8-
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n/an/a 8.23E+4n/an/an/an/an/an/a



Northeast Ohio Medical University

Curated by ChEMBL


Assay Description
Displacement of [3H]-rosiglitazone from human recombinant C-terminal His-tagged cytosolic domain of mitoNEET (32-108) by scintillation proximity assa...


Bioorg Med Chem Lett 21: 5498-501 (2011)

More data for this
Ligand-Target Pair
CDGSH iron-sulfur domain-containing protein 1


(Homo sapiens)
BDBM50350491
PNG
(CHEMBL1814641)
Show SMILES Nc1nc(O)c(Cc2ccccc2)s1
Show InChI InChI=1S/C10H10N2OS/c11-10-12-9(13)8(14-10)6-7-4-2-1-3-5-7/h1-5,13H,6H2,(H2,11,12)
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n/an/a 3.73E+7n/an/an/an/an/an/a



Northeast Ohio Medical University

Curated by ChEMBL


Assay Description
Displacement of [3H]-rosiglitazone from human recombinant C-terminal His-tagged cytosolic domain of mitoNEET (32-108) by scintillation proximity assa...


Bioorg Med Chem Lett 21: 5498-501 (2011)

More data for this
Ligand-Target Pair