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Compile Data Set for Download or QSAR

Found 10 hits of ic50 data for polymerid = 50006234   
Target
(Institution)
LigandTarget
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Thioredoxin


(Homo sapiens)
BDBM50426066
PNG
(CHEMBL2315295)
Show SMILES [O-][N+](=O)c1ccc2nc(SSC3CCCCC3)[nH]c2c1
Show InChI InChI=1S/C13H15N3O2S2/c17-16(18)9-6-7-11-12(8-9)15-13(14-11)20-19-10-4-2-1-3-5-10/h6-8,10H,1-5H2,(H,14,15)
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n/an/a 90n/an/an/an/an/an/a



Stanford University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant thioredoxin-mediated TG2 activation expressed in T84 cells assessed as blockade of 5-biotinamidopentylamine incorpora...


Citation and Details
More data for this
Ligand-Target Pair
Thioredoxin


(Homo sapiens)
BDBM50426067
PNG
(CHEMBL2315297)
Show SMILES Fc1cc2[nH]c(SSC3CCCCC3)nc2cc1Cl
Show InChI InChI=1S/C13H14ClFN2S2/c14-9-6-11-12(7-10(9)15)17-13(16-11)19-18-8-4-2-1-3-5-8/h6-8H,1-5H2,(H,16,17)
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n/an/a 170n/an/an/an/an/an/a



Stanford University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant thioredoxin-mediated TG2 activation expressed in T84 cells assessed as blockade of 5-biotinamidopentylamine incorpora...


Citation and Details
More data for this
Ligand-Target Pair
Thioredoxin


(Homo sapiens)
BDBM50426065
PNG
(CHEMBL2315294)
Show SMILES O=C(c1ccccc1)c1ccc2nc(SSC3CCCCC3)[nH]c2c1
Show InChI InChI=1S/C20H20N2OS2/c23-19(14-7-3-1-4-8-14)15-11-12-17-18(13-15)22-20(21-17)25-24-16-9-5-2-6-10-16/h1,3-4,7-8,11-13,16H,2,5-6,9-10H2,(H,21,22)
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n/an/a 240n/an/an/an/an/an/a



Stanford University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant thioredoxin-mediated TG2 activation expressed in T84 cells assessed as blockade of 5-biotinamidopentylamine incorpora...


Citation and Details
More data for this
Ligand-Target Pair
Thioredoxin


(Homo sapiens)
BDBM50426064
PNG
(CHEMBL2315292)
Show SMILES Nc1nc2nc(SSC3CCCCC3)[nH]c2c(=O)[nH]1
Show InChI InChI=1S/C11H15N5OS2/c12-10-14-8-7(9(17)16-10)13-11(15-8)19-18-6-4-2-1-3-5-6/h6H,1-5H2,(H4,12,13,14,15,16,17)
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n/an/a 290n/an/an/an/an/an/a



Stanford University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant thioredoxin-mediated TG2 activation expressed in T84 cells assessed as blockade of 5-biotinamidopentylamine incorpora...


Citation and Details
More data for this
Ligand-Target Pair
Thioredoxin


(Homo sapiens)
BDBM50426070
PNG
(CHEMBL2315306)
Show SMILES CCSSc1nc2ccccc2[nH]1
Show InChI InChI=1S/C9H10N2S2/c1-2-12-13-9-10-7-5-3-4-6-8(7)11-9/h3-6H,2H2,1H3,(H,10,11)
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n/an/a 340n/an/an/an/an/an/a



Stanford University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant thioredoxin-mediated TG2 activation expressed in T84 cells assessed as blockade of 5-biotinamidopentylamine incorpora...


Citation and Details
More data for this
Ligand-Target Pair
Thioredoxin


(Homo sapiens)
BDBM50426063
PNG
(CHEMBL2315290)
Show SMILES C1CCC(CC1)SSc1nc(c[nH]1)-c1ccccc1
Show InChI InChI=1S/C15H18N2S2/c1-3-7-12(8-4-1)14-11-16-15(17-14)19-18-13-9-5-2-6-10-13/h1,3-4,7-8,11,13H,2,5-6,9-10H2,(H,16,17)
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n/an/a 450n/an/an/an/an/an/a



Stanford University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant thioredoxin-mediated TG2 activation expressed in T84 cells assessed as blockade of 5-biotinamidopentylamine incorpora...


Citation and Details
More data for this
Ligand-Target Pair
Thioredoxin


(Homo sapiens)
BDBM50426068
PNG
(2-(Cyclohexyldisulfanyl)Benzo[D]Thiazole | CHEMBL2...)
Show SMILES C1CCC(CC1)SSc1nc2ccccc2s1
Show InChI InChI=1S/C13H15NS3/c1-2-6-10(7-3-1)16-17-13-14-11-8-4-5-9-12(11)15-13/h4-5,8-10H,1-3,6-7H2
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n/an/a 510n/an/an/an/an/an/a



Stanford University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant thioredoxin-mediated TG2 activation expressed in T84 cells assessed as blockade of 5-biotinamidopentylamine incorpora...


Citation and Details
More data for this
Ligand-Target Pair
Thioredoxin


(Homo sapiens)
BDBM50426062
PNG
(CHEMBL2315288)
Show SMILES Nn1c(SSC2CCCCC2)nnc1-c1ccccc1
Show InChI InChI=1S/C14H18N4S2/c15-18-13(11-7-3-1-4-8-11)16-17-14(18)20-19-12-9-5-2-6-10-12/h1,3-4,7-8,12H,2,5-6,9-10,15H2
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n/an/a 540n/an/an/an/an/an/a



Stanford University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant thioredoxin-mediated TG2 activation expressed in T84 cells assessed as blockade of 5-biotinamidopentylamine incorpora...


Citation and Details
More data for this
Ligand-Target Pair
Thioredoxin


(Homo sapiens)
BDBM50426071
PNG
(CHEMBL406050 | US9018255, PX-12)
Show SMILES CCC(C)SSc1ncc[nH]1
Show InChI InChI=1S/C7H12N2S2/c1-3-6(2)10-11-7-8-4-5-9-7/h4-6H,3H2,1-2H3,(H,8,9)
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n/an/a 2.11E+3n/an/an/an/an/an/a



Stanford University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant thioredoxin-mediated TG2 activation expressed in T84 cells assessed as blockade of 5-biotinamidopentylamine incorpora...


Citation and Details
More data for this
Ligand-Target Pair
Thioredoxin


(Homo sapiens)
BDBM50426069
PNG
(CHEMBL2315305)
Show SMILES CC(C)(C)SSc1nc2ccccc2[nH]1
Show InChI InChI=1S/C11H14N2S2/c1-11(2,3)15-14-10-12-8-6-4-5-7-9(8)13-10/h4-7H,1-3H3,(H,12,13)
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n/an/a 7.31E+3n/an/an/an/an/an/a



Stanford University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant thioredoxin-mediated TG2 activation expressed in T84 cells assessed as blockade of 5-biotinamidopentylamine incorpora...


Citation and Details
More data for this
Ligand-Target Pair