Compile Data Set for Download or QSAR

Found 15 hits of ic50 for UniProtKB: P0A9P4   

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 reductase (Escherichia coli (strain K12))	BDBM106943 (US8592468, EbSe10 | acs.jmedchem.1c00409_ST.159) Show SMILES OC(=O)c1ccc(cc1)-n1[se]c2ccccc2c1=O Show InChI InChI=1S/C14H9NO3Se/c16-13-11-3-1-2-4-12(11)19-15(13)10-7-5-9(6-8-10)14(17)18/h1-8H,(H,17,18)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	US Patent	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Thioredoxin Systems AB US Patent					Assay Description All the benzisoselenazol-3(2H)-one and bisbenzisoselenazol-3(2H)-one derivatives were tested as potential E. coli TrxR inhibitors by standard DTNB ...				US Patent US8592468 (2013) BindingDB Entry DOI: 10.7270/Q29P3081
					More data for this Ligand-Target Pair
Thioredoxin reductase (Escherichia coli (strain K12))	BDBM50385303 (CHEMBL2035460 | US8592468, EbSe14) Show SMILES O=c1n(CCn2[se]c3ccccc3c2=O)[se]c2ccccc12 Show InChI InChI=1S/C16H12N2O2Se2/c19-15-11-5-1-3-7-13(11)21-17(15)9-10-18-16(20)12-6-2-4-8-14(12)22-18/h1-8H,9-10H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	US Patent	50	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Thioredoxin Systems AB US Patent					Assay Description All the benzisoselenazol-3(2H)-one and bisbenzisoselenazol-3(2H)-one derivatives were tested as potential E. coli TrxR inhibitors by standard DTNB ...				US Patent US8592468 (2013) BindingDB Entry DOI: 10.7270/Q29P3081
					More data for this Ligand-Target Pair
Thioredoxin reductase (Escherichia coli (strain K12))	BDBM50385302 (CHEMBL2035461 | US8592468, EbSe15) Show SMILES O=c1n(CCCn2[se]c3ccccc3c2=O)[se]c2ccccc12 Show InChI InChI=1S/C17H14N2O2Se2/c20-16-12-6-1-3-8-14(12)22-18(16)10-5-11-19-17(21)13-7-2-4-9-15(13)23-19/h1-4,6-9H,5,10-11H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	40	n/a	2.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Thioredoxin Systems AB US Patent					Assay Description All the benzisoselenazol-3(2H)-one and bisbenzisoselenazol-3(2H)-one derivatives were tested as potential E. coli TrxR inhibitors by standard DTNB ...				US Patent US8592468 (2013) BindingDB Entry DOI: 10.7270/Q29P3081
					More data for this Ligand-Target Pair
Thioredoxin reductase (Escherichia coli (strain K12))	BDBM50385299 (CHEMBL2035464 | US8592468, EbSe16) Show SMILES O=c1n(CCCCCCn2[se]c3ccccc3c2=O)[se]c2ccccc12 Show InChI InChI=1S/C20H20N2O2Se2/c23-19-15-9-3-5-11-17(15)25-21(19)13-7-1-2-8-14-22-20(24)16-10-4-6-12-18(16)26-22/h3-6,9-12H,1-2,7-8,13-14H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	10	n/a	2.25E+3	n/a	n/a	n/a	n/a	n/a	n/a
Thioredoxin Systems AB US Patent					Assay Description All the benzisoselenazol-3(2H)-one and bisbenzisoselenazol-3(2H)-one derivatives were tested as potential E. coli TrxR inhibitors by standard DTNB ...				US Patent US8592468 (2013) BindingDB Entry DOI: 10.7270/Q29P3081
					More data for this Ligand-Target Pair
Thioredoxin reductase (Escherichia coli (strain K12))	BDBM106948 (US8592468, EbSe12) Show SMILES [O-][N+](=O)c1cccnc1-n1[se]c2ccccc2c1=O Show InChI InChI=1S/C12H7N3O3Se/c16-12-8-4-1-2-6-10(8)19-14(12)11-9(15(17)18)5-3-7-13-11/h1-7H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	250	n/a	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Thioredoxin Systems AB US Patent					Assay Description All the benzisoselenazol-3(2H)-one and bisbenzisoselenazol-3(2H)-one derivatives were tested as potential E. coli TrxR inhibitors by standard DTNB ...				US Patent US8592468 (2013) BindingDB Entry DOI: 10.7270/Q29P3081
					More data for this Ligand-Target Pair
Thioredoxin reductase (Escherichia coli (strain K12))	BDBM106949 (US8592468, EbSe13) Show SMILES O=c1n([se]c2ccccc12)-c1ccncc1 Show InChI InChI=1S/C12H8N2OSe/c15-12-10-3-1-2-4-11(10)16-14(12)9-5-7-13-8-6-9/h1-8H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	1.50E+3	n/a	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Thioredoxin Systems AB US Patent					Assay Description All the benzisoselenazol-3(2H)-one and bisbenzisoselenazol-3(2H)-one derivatives were tested as potential E. coli TrxR inhibitors by standard DTNB ...				US Patent US8592468 (2013) BindingDB Entry DOI: 10.7270/Q29P3081
					More data for this Ligand-Target Pair
Thioredoxin reductase (Escherichia coli (strain K12))	BDBM106941 (US8592468, EbSe8) Show SMILES Cc1cc(Cl)ccc1-n1[se]c2ccccc2c1=O Show InChI InChI=1S/C14H10ClNOSe/c1-9-8-10(15)6-7-12(9)16-14(17)11-4-2-3-5-13(11)18-16/h2-8H,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	250	n/a	6.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Thioredoxin Systems AB US Patent					Assay Description All the benzisoselenazol-3(2H)-one and bisbenzisoselenazol-3(2H)-one derivatives were tested as potential E. coli TrxR inhibitors by standard DTNB ...				US Patent US8592468 (2013) BindingDB Entry DOI: 10.7270/Q29P3081
					More data for this Ligand-Target Pair
Thioredoxin reductase (Escherichia coli (strain K12))	BDBM34233 (2-Phenyl-benzo[d]isoselenazol-3-one | 2-Phenyl-ben...) Show SMILES O=c1n([se]c2ccccc12)-c1ccccc1 Show InChI InChI=1S/C13H9NOSe/c15-13-11-8-4-5-9-12(11)16-14(13)10-6-2-1-3-7-10/h1-9H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	US Patent	300	n/a	6.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Thioredoxin Systems AB US Patent					Assay Description All the benzisoselenazol-3(2H)-one and bisbenzisoselenazol-3(2H)-one derivatives were tested as potential E. coli TrxR inhibitors by standard DTNB ...				US Patent US8592468 (2013) BindingDB Entry DOI: 10.7270/Q29P3081
					More data for this Ligand-Target Pair
Thioredoxin reductase (Escherichia coli (strain K12))	BDBM106940 (US8592468, EbSe7) Show SMILES Clc1ccc(cc1)-n1[se]c2ccccc2c1=O Show InChI InChI=1S/C13H8ClNOSe/c14-9-5-7-10(8-6-9)15-13(16)11-3-1-2-4-12(11)17-15/h1-8H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	550	n/a	7.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Thioredoxin Systems AB US Patent					Assay Description All the benzisoselenazol-3(2H)-one and bisbenzisoselenazol-3(2H)-one derivatives were tested as potential E. coli TrxR inhibitors by standard DTNB ...				US Patent US8592468 (2013) BindingDB Entry DOI: 10.7270/Q29P3081
					More data for this Ligand-Target Pair
Thioredoxin reductase (Escherichia coli (strain K12))	BDBM106942 (US8592468, EbSe9) Show SMILES O=COc1ccccc1-n1[se]c2ccccc2c1=O Show InChI InChI=1S/C14H9NO3Se/c16-9-18-12-7-3-2-6-11(12)15-14(17)10-5-1-4-8-13(10)19-15/h1-9H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.20E+3	n/a	7.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Thioredoxin Systems AB US Patent					Assay Description All the benzisoselenazol-3(2H)-one and bisbenzisoselenazol-3(2H)-one derivatives were tested as potential E. coli TrxR inhibitors by standard DTNB ...				US Patent US8592468 (2013) BindingDB Entry DOI: 10.7270/Q29P3081
					More data for this Ligand-Target Pair
Thioredoxin reductase (Escherichia coli (strain K12))	BDBM106944 (US8592468, EbSe2) Show SMILES O=c1[nH][se]c2ccccc12 Show InChI InChI=1S/C7H5NOSe/c9-7-5-3-1-2-4-6(5)10-8-7/h1-4H,(H,8,9)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.00E+3	n/a	1.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Thioredoxin Systems AB US Patent					Assay Description All the benzisoselenazol-3(2H)-one and bisbenzisoselenazol-3(2H)-one derivatives were tested as potential E. coli TrxR inhibitors by standard DTNB ...				US Patent US8592468 (2013) BindingDB Entry DOI: 10.7270/Q29P3081
					More data for this Ligand-Target Pair
Thioredoxin reductase (Escherichia coli (strain K12))	BDBM106946 (US8592468, EbSe4) Show SMILES CC(C)(C)n1[se]c2ccccc2c1=O Show InChI InChI=1S/C11H13NOSe/c1-11(2,3)12-10(13)8-6-4-5-7-9(8)14-12/h4-7H,1-3H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Thioredoxin Systems AB US Patent					Assay Description All the benzisoselenazol-3(2H)-one and bisbenzisoselenazol-3(2H)-one derivatives were tested as potential E. coli TrxR inhibitors by standard DTNB ...				US Patent US8592468 (2013) BindingDB Entry DOI: 10.7270/Q29P3081
					More data for this Ligand-Target Pair
Thioredoxin reductase (Escherichia coli (strain K12))	BDBM106945 (US8592468, EbSe3) Show SMILES Cn1[se]c2ccccc2c1=O Show InChI InChI=1S/C8H7NOSe/c1-9-8(10)6-4-2-3-5-7(6)11-9/h2-5H,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Thioredoxin Systems AB US Patent					Assay Description All the benzisoselenazol-3(2H)-one and bisbenzisoselenazol-3(2H)-one derivatives were tested as potential E. coli TrxR inhibitors by standard DTNB ...				US Patent US8592468 (2013) BindingDB Entry DOI: 10.7270/Q29P3081
					More data for this Ligand-Target Pair
Thioredoxin reductase (Escherichia coli (strain K12))	BDBM50406014 (CHEMBL5271737) Show SMILES CC1=CC(C)(C)Nc2ccc(Cc3cnc(N)nc3N)cc12 |t:1| Show InChI InChI=1S/C17H21N5/c1-10-8-17(2,3)22-14-5-4-11(7-13(10)14)6-12-9-20-16(19)21-15(12)18/h4-5,7-9,22H,6H2,1-3H3,(H4,18,19,20,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		n/a	n/a	1.66E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The compound was tested in vitro for inhibition of rat hepatic HMG-CoA reductase.				Citation and Details
					More data for this Ligand-Target Pair
Thioredoxin reductase (Escherichia coli (strain K12))	BDBM106947 (US8592468, EbSe11) Show SMILES Clc1ccc(nc1)-n1[se]c2ccccc2c1=O Show InChI InChI=1S/C12H7ClN2OSe/c13-8-5-6-11(14-7-8)15-12(16)9-3-1-2-4-10(9)17-15/h1-7H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	>4.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Thioredoxin Systems AB US Patent					Assay Description All the benzisoselenazol-3(2H)-one and bisbenzisoselenazol-3(2H)-one derivatives were tested as potential E. coli TrxR inhibitors by standard DTNB ...				US Patent US8592468 (2013) BindingDB Entry DOI: 10.7270/Q29P3081
					More data for this Ligand-Target Pair