Compile Data Set for Download or QSAR

Found 10 hits of ic50 data for polymerid = 50006234   

Target/Host (Institution)	Ligand	Target/Host 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	pH	Temp °C
Thioredoxin (Homo sapiens (Human))	BDBM50426066 (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)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	90	n/a	n/a	n/a	n/a	n/a	n/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...				J Med Chem 56: 1301-10 (2013) Article DOI: 10.1021/jm301775s BindingDB Entry DOI: 10.7270/Q2HQ4181
					More data for this Ligand-Target Pair
Thioredoxin (Homo sapiens (Human))	BDBM50426067 (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)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	170	n/a	n/a	n/a	n/a	n/a	n/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...				J Med Chem 56: 1301-10 (2013) Article DOI: 10.1021/jm301775s BindingDB Entry DOI: 10.7270/Q2HQ4181
					More data for this Ligand-Target Pair
Thioredoxin (Homo sapiens (Human))	BDBM50426065 (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)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	240	n/a	n/a	n/a	n/a	n/a	n/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...				J Med Chem 56: 1301-10 (2013) Article DOI: 10.1021/jm301775s BindingDB Entry DOI: 10.7270/Q2HQ4181
					More data for this Ligand-Target Pair
Thioredoxin (Homo sapiens (Human))	BDBM50426064 (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)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	290	n/a	n/a	n/a	n/a	n/a	n/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...				J Med Chem 56: 1301-10 (2013) Article DOI: 10.1021/jm301775s BindingDB Entry DOI: 10.7270/Q2HQ4181
					More data for this Ligand-Target Pair
Thioredoxin (Homo sapiens (Human))	BDBM50426070 (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)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	340	n/a	n/a	n/a	n/a	n/a	n/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...				J Med Chem 56: 1301-10 (2013) Article DOI: 10.1021/jm301775s BindingDB Entry DOI: 10.7270/Q2HQ4181
					More data for this Ligand-Target Pair
Thioredoxin (Homo sapiens (Human))	BDBM50426063 (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)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	450	n/a	n/a	n/a	n/a	n/a	n/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...				J Med Chem 56: 1301-10 (2013) Article DOI: 10.1021/jm301775s BindingDB Entry DOI: 10.7270/Q2HQ4181
					More data for this Ligand-Target Pair
Thioredoxin (Homo sapiens (Human))	BDBM50426068 (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	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	510	n/a	n/a	n/a	n/a	n/a	n/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...				J Med Chem 56: 1301-10 (2013) Article DOI: 10.1021/jm301775s BindingDB Entry DOI: 10.7270/Q2HQ4181
					More data for this Ligand-Target Pair
Thioredoxin (Homo sapiens (Human))	BDBM50426062 (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	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	540	n/a	n/a	n/a	n/a	n/a	n/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...				J Med Chem 56: 1301-10 (2013) Article DOI: 10.1021/jm301775s BindingDB Entry DOI: 10.7270/Q2HQ4181
					More data for this Ligand-Target Pair
Thioredoxin (Homo sapiens (Human))	BDBM50426071 (CHEMBL406050 | PX-12 | US9018255, PX-12 | med.2172...) 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)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.11E+3	n/a	n/a	n/a	n/a	n/a	n/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...				J Med Chem 56: 1301-10 (2013) Article DOI: 10.1021/jm301775s BindingDB Entry DOI: 10.7270/Q2HQ4181
					More data for this Ligand-Target Pair
Thioredoxin (Homo sapiens (Human))	BDBM50426069 (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)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.31E+3	n/a	n/a	n/a	n/a	n/a	n/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...				J Med Chem 56: 1301-10 (2013) Article DOI: 10.1021/jm301775s BindingDB Entry DOI: 10.7270/Q2HQ4181
					More data for this Ligand-Target Pair