Found 36 hits of Enzyme Inhibition Constant Data Target/Host
(Institution) | Ligand | Target/Host
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 | pH | Temp
°C |
|---|
Thioredoxin reductase 1, cytoplasmic
(Rattus norvegicus) | BDBM50385274
(CHEMBL2035489)Show SMILES COc1ccc2[se]n(CCn3[se]c4ccc(OC)cc4c3=O)c(=O)c2c1 Show InChI InChI=1S/C18H16N2O4Se2/c1-23-11-3-5-15-13(9-11)17(21)19(25-15)7-8-20-18(22)14-10-12(24-2)4-6-16(14)26-20/h3-6,9-10H,7-8H2,1-2H3 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 130 | n/a | n/a | n/a | n/a | n/a | n/a |
Peking University
Curated by ChEMBL
| Assay Description
Inhibition of TrxR1 in rat liver homogenate preincubated for 5 mins measured by DNTB assay |
Bioorg Med Chem 20: 3816-27 (2012)
Article DOI: 10.1016/j.bmc.2012.04.033
BindingDB Entry DOI: 10.7270/Q2V69KND |
More data for this
Ligand-Target Pair | |
Thioredoxin reductase 1, cytoplasmic
(Rattus norvegicus) | BDBM50385288
(CHEMBL2034987)Show SMILES Fc1ccc2[se]n(CCn3[se]c4ccc(F)cc4c3=O)c(=O)c2c1 Show InChI InChI=1S/C16H10F2N2O2Se2/c17-9-1-3-13-11(7-9)15(21)19(23-13)5-6-20-16(22)12-8-10(18)2-4-14(12)24-20/h1-4,7-8H,5-6H2 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 280 | n/a | n/a | n/a | n/a | n/a | n/a |
Peking University
Curated by ChEMBL
| Assay Description
Inhibition of TrxR1 in rat liver homogenate preincubated for 5 mins measured by DNTB assay |
Bioorg Med Chem 20: 3816-27 (2012)
Article DOI: 10.1016/j.bmc.2012.04.033
BindingDB Entry DOI: 10.7270/Q2V69KND |
More data for this
Ligand-Target Pair | |
Thioredoxin reductase 1, cytoplasmic
(Rattus norvegicus) | BDBM50385273
(CHEMBL2035491)Show SMILES Oc1ccc2[se]n(CCn3[se]c4ccc(O)cc4c3=O)c(=O)c2c1 Show InChI InChI=1S/C16H12N2O4Se2/c19-9-1-3-13-11(7-9)15(21)17(23-13)5-6-18-16(22)12-8-10(20)2-4-14(12)24-18/h1-4,7-8,19-20H,5-6H2 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 320 | n/a | n/a | n/a | n/a | n/a | n/a |
Peking University
Curated by ChEMBL
| Assay Description
Inhibition of TrxR1 in rat liver homogenate preincubated for 5 mins measured by DNTB assay |
Bioorg Med Chem 20: 3816-27 (2012)
Article DOI: 10.1016/j.bmc.2012.04.033
BindingDB Entry DOI: 10.7270/Q2V69KND |
More data for this
Ligand-Target Pair | |
Thioredoxin reductase 1, cytoplasmic
(Rattus norvegicus) | BDBM50385303
(CHEMBL2035460 | US8592468, EbSe14)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
| Article
PubMed
| n/a | n/a | 350 | n/a | n/a | n/a | n/a | n/a | n/a |
Peking University
Curated by ChEMBL
| Assay Description
Inhibition of TrxR1 in rat liver homogenate preincubated for 5 mins measured by DNTB assay |
Bioorg Med Chem 20: 3816-27 (2012)
Article DOI: 10.1016/j.bmc.2012.04.033
BindingDB Entry DOI: 10.7270/Q2V69KND |
More data for this
Ligand-Target Pair | |
Thioredoxin reductase 1, cytoplasmic
(Rattus norvegicus) | BDBM50385279
(CHEMBL2035484)Show SMILES [O-][N+](=O)c1ccc2[se]n(CCn3[se]c4ccc(cc4c3=O)[N+]([O-])=O)c(=O)c2c1 Show InChI InChI=1S/C16H10N4O6Se2/c21-15-11-7-9(19(23)24)1-3-13(11)27-17(15)5-6-18-16(22)12-8-10(20(25)26)2-4-14(12)28-18/h1-4,7-8H,5-6H2 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 570 | n/a | n/a | n/a | n/a | n/a | n/a |
Peking University
Curated by ChEMBL
| Assay Description
Inhibition of TrxR1 in rat liver homogenate preincubated for 5 mins measured by DNTB assay |
Bioorg Med Chem 20: 3816-27 (2012)
Article DOI: 10.1016/j.bmc.2012.04.033
BindingDB Entry DOI: 10.7270/Q2V69KND |
More data for this
Ligand-Target Pair | |
Thioredoxin reductase 1, cytoplasmic
(Rattus norvegicus) | BDBM50385302
(CHEMBL2035461 | US8592468, EbSe15)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
| Article
PubMed
| n/a | n/a | 780 | n/a | n/a | n/a | n/a | n/a | n/a |
Peking University
Curated by ChEMBL
| Assay Description
Inhibition of TrxR1 in rat liver homogenate preincubated for 5 mins measured by DNTB assay |
Bioorg Med Chem 20: 3816-27 (2012)
Article DOI: 10.1016/j.bmc.2012.04.033
BindingDB Entry DOI: 10.7270/Q2V69KND |
More data for this
Ligand-Target Pair | |
Thioredoxin reductase 1, cytoplasmic
(Rattus norvegicus) | BDBM50385278
(CHEMBL2035485)Show SMILES Fc1ccc2c(c1)[se]n(CCn1[se]c3cc(F)ccc3c1=O)c2=O Show InChI InChI=1S/C16H10F2N2O2Se2/c17-9-1-3-11-13(7-9)23-19(15(11)21)5-6-20-16(22)12-4-2-10(18)8-14(12)24-20/h1-4,7-8H,5-6H2 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 820 | n/a | n/a | n/a | n/a | n/a | n/a |
Peking University
Curated by ChEMBL
| Assay Description
Inhibition of TrxR1 in rat liver homogenate preincubated for 5 mins measured by DNTB assay |
Bioorg Med Chem 20: 3816-27 (2012)
Article DOI: 10.1016/j.bmc.2012.04.033
BindingDB Entry DOI: 10.7270/Q2V69KND |
More data for this
Ligand-Target Pair | |
Thioredoxin reductase 1, cytoplasmic
(Rattus norvegicus) | BDBM50385287
(CHEMBL2035476)Show SMILES Fc1ccc2[se]n(CCCn3[se]c4ccc(F)cc4c3=O)c(=O)c2c1 Show InChI InChI=1S/C17H12F2N2O2Se2/c18-10-2-4-14-12(8-10)16(22)20(24-14)6-1-7-21-17(23)13-9-11(19)3-5-15(13)25-21/h2-5,8-9H,1,6-7H2 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 860 | n/a | n/a | n/a | n/a | n/a | n/a |
Peking University
Curated by ChEMBL
| Assay Description
Inhibition of TrxR1 in rat liver homogenate preincubated for 5 mins measured by DNTB assay |
Bioorg Med Chem 20: 3816-27 (2012)
Article DOI: 10.1016/j.bmc.2012.04.033
BindingDB Entry DOI: 10.7270/Q2V69KND |
More data for this
Ligand-Target Pair | |
Thioredoxin reductase 1, cytoplasmic
(Rattus norvegicus) | BDBM50385301
(CHEMBL2035462)Show InChI InChI=1S/C18H16N2O2Se2/c21-17-13-7-1-3-9-15(13)23-19(17)11-5-6-12-20-18(22)14-8-2-4-10-16(14)24-20/h1-4,7-10H,5-6,11-12H2 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.03E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Peking University
Curated by ChEMBL
| Assay Description
Inhibition of TrxR1 in rat liver homogenate preincubated for 5 mins measured by DNTB assay |
Bioorg Med Chem 20: 3816-27 (2012)
Article DOI: 10.1016/j.bmc.2012.04.033
BindingDB Entry DOI: 10.7270/Q2V69KND |
More data for this
Ligand-Target Pair | |
Thioredoxin reductase 1, cytoplasmic
(Rattus norvegicus) | BDBM50385292
(CHEMBL2035471)Show SMILES Cc1ccc2[se]n(CCCn3[se]c4ccc(C)cc4c3=O)c(=O)c2c1 Show InChI InChI=1S/C19H18N2O2Se2/c1-12-4-6-16-14(10-12)18(22)20(24-16)8-3-9-21-19(23)15-11-13(2)5-7-17(15)25-21/h4-7,10-11H,3,8-9H2,1-2H3 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.16E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Peking University
Curated by ChEMBL
| Assay Description
Inhibition of TrxR1 in rat liver homogenate preincubated for 5 mins measured by DNTB assay |
Bioorg Med Chem 20: 3816-27 (2012)
Article DOI: 10.1016/j.bmc.2012.04.033
BindingDB Entry DOI: 10.7270/Q2V69KND |
More data for this
Ligand-Target Pair | |
Thioredoxin reductase 1, cytoplasmic
(Rattus norvegicus) | BDBM50385293
(CHEMBL2035470)Show SMILES Cc1ccc2[se]n(CCn3[se]c4ccc(C)cc4c3=O)c(=O)c2c1 Show InChI InChI=1S/C18H16N2O2Se2/c1-11-3-5-15-13(9-11)17(21)19(23-15)7-8-20-18(22)14-10-12(2)4-6-16(14)24-20/h3-6,9-10H,7-8H2,1-2H3 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.26E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Peking University
Curated by ChEMBL
| Assay Description
Inhibition of TrxR1 in rat liver homogenate preincubated for 5 mins measured by DNTB assay |
Bioorg Med Chem 20: 3816-27 (2012)
Article DOI: 10.1016/j.bmc.2012.04.033
BindingDB Entry DOI: 10.7270/Q2V69KND |
More data for this
Ligand-Target Pair | |
Thioredoxin reductase 1, cytoplasmic
(Rattus norvegicus) | BDBM50385283
(CHEMBL2035480)Show SMILES Clc1ccc2[se]n(CCn3[se]c4ccc(Cl)cc4c3=O)c(=O)c2c1 Show InChI InChI=1S/C16H10Cl2N2O2Se2/c17-9-1-3-13-11(7-9)15(21)19(23-13)5-6-20-16(22)12-8-10(18)2-4-14(12)24-20/h1-4,7-8H,5-6H2 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.31E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Peking University
Curated by ChEMBL
| Assay Description
Inhibition of TrxR1 in rat liver homogenate preincubated for 5 mins measured by DNTB assay |
Bioorg Med Chem 20: 3816-27 (2012)
Article DOI: 10.1016/j.bmc.2012.04.033
BindingDB Entry DOI: 10.7270/Q2V69KND |
More data for this
Ligand-Target Pair | |
Thioredoxin reductase 1, cytoplasmic
(Rattus norvegicus) | BDBM50385281
(CHEMBL2035482)Show SMILES Brc1ccc2[se]n(CCn3[se]c4ccc(Br)cc4c3=O)c(=O)c2c1 Show InChI InChI=1S/C16H10Br2N2O2Se2/c17-9-1-3-13-11(7-9)15(21)19(23-13)5-6-20-16(22)12-8-10(18)2-4-14(12)24-20/h1-4,7-8H,5-6H2 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.58E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Peking University
Curated by ChEMBL
| Assay Description
Inhibition of TrxR1 in rat liver homogenate preincubated for 5 mins measured by DNTB assay |
Bioorg Med Chem 20: 3816-27 (2012)
Article DOI: 10.1016/j.bmc.2012.04.033
BindingDB Entry DOI: 10.7270/Q2V69KND |
More data for this
Ligand-Target Pair | |
Thioredoxin reductase 1, cytoplasmic
(Rattus norvegicus) | BDBM50385280
(CHEMBL2035483)Show SMILES Brc1ccc2[se]n(CCCCCn3[se]c4ccc(Br)cc4c3=O)c(=O)c2c1 Show InChI InChI=1S/C19H16Br2N2O2Se2/c20-12-4-6-16-14(10-12)18(24)22(26-16)8-2-1-3-9-23-19(25)15-11-13(21)5-7-17(15)27-23/h4-7,10-11H,1-3,8-9H2 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.59E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Peking University
Curated by ChEMBL
| Assay Description
Inhibition of TrxR1 in rat liver homogenate preincubated for 5 mins measured by DNTB assay |
Bioorg Med Chem 20: 3816-27 (2012)
Article DOI: 10.1016/j.bmc.2012.04.033
BindingDB Entry DOI: 10.7270/Q2V69KND |
More data for this
Ligand-Target Pair | |
Thioredoxin reductase 1, cytoplasmic
(Rattus norvegicus) | BDBM50385286
(CHEMBL2035477)Show SMILES Fc1ccc2[se]n(CCCCn3[se]c4ccc(F)cc4c3=O)c(=O)c2c1 Show InChI InChI=1S/C18H14F2N2O2Se2/c19-11-3-5-15-13(9-11)17(23)21(25-15)7-1-2-8-22-18(24)14-10-12(20)4-6-16(14)26-22/h3-6,9-10H,1-2,7-8H2 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.64E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Peking University
Curated by ChEMBL
| Assay Description
Inhibition of TrxR1 in rat liver homogenate preincubated for 5 mins measured by DNTB assay |
Bioorg Med Chem 20: 3816-27 (2012)
Article DOI: 10.1016/j.bmc.2012.04.033
BindingDB Entry DOI: 10.7270/Q2V69KND |
More data for this
Ligand-Target Pair | |
Thioredoxin reductase 1, cytoplasmic
(Rattus norvegicus) | 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
| Article
PubMed
| n/a | n/a | 1.66E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Peking University
Curated by ChEMBL
| Assay Description
Inhibition of TrxR1 in rat liver homogenate preincubated for 5 mins measured by DNTB assay |
Bioorg Med Chem 20: 3816-27 (2012)
Article DOI: 10.1016/j.bmc.2012.04.033
BindingDB Entry DOI: 10.7270/Q2V69KND |
More data for this
Ligand-Target Pair | |
Thioredoxin reductase 1, cytoplasmic
(Rattus norvegicus) | BDBM50385282
(CHEMBL2035481)Show SMILES Clc1ccc2[se]n(CCCCCn3[se]c4ccc(Cl)cc4c3=O)c(=O)c2c1 Show InChI InChI=1S/C19H16Cl2N2O2Se2/c20-12-4-6-16-14(10-12)18(24)22(26-16)8-2-1-3-9-23-19(25)15-11-13(21)5-7-17(15)27-23/h4-7,10-11H,1-3,8-9H2 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Peking University
Curated by ChEMBL
| Assay Description
Inhibition of TrxR1 in rat liver homogenate preincubated for 5 mins measured by DNTB assay |
Bioorg Med Chem 20: 3816-27 (2012)
Article DOI: 10.1016/j.bmc.2012.04.033
BindingDB Entry DOI: 10.7270/Q2V69KND |
More data for this
Ligand-Target Pair | |
Thioredoxin reductase 1, cytoplasmic
(Rattus norvegicus) | BDBM50385300
(CHEMBL2035463)Show SMILES O=c1n(CCCCCn2[se]c3ccccc3c2=O)[se]c2ccccc12 Show InChI InChI=1S/C19H18N2O2Se2/c22-18-14-8-2-4-10-16(14)24-20(18)12-6-1-7-13-21-19(23)15-9-3-5-11-17(15)25-21/h2-5,8-11H,1,6-7,12-13H2 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.95E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Peking University
Curated by ChEMBL
| Assay Description
Inhibition of TrxR1 in rat liver homogenate preincubated for 5 mins measured by DNTB assay |
Bioorg Med Chem 20: 3816-27 (2012)
Article DOI: 10.1016/j.bmc.2012.04.033
BindingDB Entry DOI: 10.7270/Q2V69KND |
More data for this
Ligand-Target Pair | |
Thioredoxin reductase 1, cytoplasmic
(Rattus norvegicus) | BDBM50385305
(CHEMBL2035472)Show SMILES Cc1ccc2[se]n(CCCCn3[se]c4ccc(C)cc4c3=O)c(=O)c2c1 Show InChI InChI=1S/C20H20N2O2Se2/c1-13-5-7-17-15(11-13)19(23)21(25-17)9-3-4-10-22-20(24)16-12-14(2)6-8-18(16)26-22/h5-8,11-12H,3-4,9-10H2,1-2H3 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.38E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Peking University
Curated by ChEMBL
| Assay Description
Inhibition of TrxR1 in rat liver homogenate preincubated for 5 mins measured by DNTB assay |
Bioorg Med Chem 20: 3816-27 (2012)
Article DOI: 10.1016/j.bmc.2012.04.033
BindingDB Entry DOI: 10.7270/Q2V69KND |
More data for this
Ligand-Target Pair | |
Thioredoxin reductase 1, cytoplasmic
(Rattus norvegicus) | BDBM50385276
(CHEMBL2035487)Show SMILES Clc1ccc2c(c1)[se]n(CCn1[se]c3cc(Cl)ccc3c1=O)c2=O Show InChI InChI=1S/C16H10Cl2N2O2Se2/c17-9-1-3-11-13(7-9)23-19(15(11)21)5-6-20-16(22)12-4-2-10(18)8-14(12)24-20/h1-4,7-8H,5-6H2 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.87E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Peking University
Curated by ChEMBL
| Assay Description
Inhibition of TrxR1 in rat liver homogenate preincubated for 5 mins measured by DNTB assay |
Bioorg Med Chem 20: 3816-27 (2012)
Article DOI: 10.1016/j.bmc.2012.04.033
BindingDB Entry DOI: 10.7270/Q2V69KND |
More data for this
Ligand-Target Pair | |
Thioredoxin reductase 1, cytoplasmic
(Rattus norvegicus) | BDBM50385277
(CHEMBL2035486)Show SMILES Fc1ccc2c(c1)[se]n(CCCCCn1[se]c3cc(F)ccc3c1=O)c2=O Show InChI InChI=1S/C19H16F2N2O2Se2/c20-12-4-6-14-16(10-12)26-22(18(14)24)8-2-1-3-9-23-19(25)15-7-5-13(21)11-17(15)27-23/h4-7,10-11H,1-3,8-9H2 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.91E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Peking University
Curated by ChEMBL
| Assay Description
Inhibition of TrxR1 in rat liver homogenate preincubated for 5 mins measured by DNTB assay |
Bioorg Med Chem 20: 3816-27 (2012)
Article DOI: 10.1016/j.bmc.2012.04.033
BindingDB Entry DOI: 10.7270/Q2V69KND |
More data for this
Ligand-Target Pair | |
Thioredoxin reductase 1, cytoplasmic
(Rattus norvegicus) | BDBM50385291
(CHEMBL2035473)Show SMILES Cc1ccc2[se]n(CCCCCn3[se]c4ccc(C)cc4c3=O)c(=O)c2c1 Show InChI InChI=1S/C21H22N2O2Se2/c1-14-6-8-18-16(12-14)20(24)22(26-18)10-4-3-5-11-23-21(25)17-13-15(2)7-9-19(17)27-23/h6-9,12-13H,3-5,10-11H2,1-2H3 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.16E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Peking University
Curated by ChEMBL
| Assay Description
Inhibition of TrxR1 in rat liver homogenate preincubated for 5 mins measured by DNTB assay |
Bioorg Med Chem 20: 3816-27 (2012)
Article DOI: 10.1016/j.bmc.2012.04.033
BindingDB Entry DOI: 10.7270/Q2V69KND |
More data for this
Ligand-Target Pair | |
Thioredoxin reductase 1, cytoplasmic
(Rattus norvegicus) | BDBM50385285
(CHEMBL2035478)Show SMILES Fc1ccc2[se]n(CCCCCn3[se]c4ccc(F)cc4c3=O)c(=O)c2c1 Show InChI InChI=1S/C19H16F2N2O2Se2/c20-12-4-6-16-14(10-12)18(24)22(26-16)8-2-1-3-9-23-19(25)15-11-13(21)5-7-17(15)27-23/h4-7,10-11H,1-3,8-9H2 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.87E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Peking University
Curated by ChEMBL
| Assay Description
Inhibition of TrxR1 in rat liver homogenate preincubated for 5 mins measured by DNTB assay |
Bioorg Med Chem 20: 3816-27 (2012)
Article DOI: 10.1016/j.bmc.2012.04.033
BindingDB Entry DOI: 10.7270/Q2V69KND |
More data for this
Ligand-Target Pair | |
Thioredoxin reductase 1, cytoplasmic
(Rattus norvegicus) | BDBM50385297
(CHEMBL2035466)Show SMILES O=c1n(CCCCCCCCn2[se]c3ccccc3c2=O)[se]c2ccccc12 Show InChI InChI=1S/C22H24N2O2Se2/c25-21-17-11-5-7-13-19(17)27-23(21)15-9-3-1-2-4-10-16-24-22(26)18-12-6-8-14-20(18)28-24/h5-8,11-14H,1-4,9-10,15-16H2 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.49E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Peking University
Curated by ChEMBL
| Assay Description
Inhibition of TrxR1 in rat liver homogenate preincubated for 5 mins measured by DNTB assay |
Bioorg Med Chem 20: 3816-27 (2012)
Article DOI: 10.1016/j.bmc.2012.04.033
BindingDB Entry DOI: 10.7270/Q2V69KND |
More data for this
Ligand-Target Pair | |
Thioredoxin reductase 1, cytoplasmic
(Rattus norvegicus) | BDBM50385275
(CHEMBL2035488)Show SMILES Clc1ccc2c(c1)[se]n(CCCCCn1[se]c3cc(Cl)ccc3c1=O)c2=O Show InChI InChI=1S/C19H16Cl2N2O2Se2/c20-12-4-6-14-16(10-12)26-22(18(14)24)8-2-1-3-9-23-19(25)15-7-5-13(21)11-17(15)27-23/h4-7,10-11H,1-3,8-9H2 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.54E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Peking University
Curated by ChEMBL
| Assay Description
Inhibition of TrxR1 in rat liver homogenate preincubated for 5 mins measured by DNTB assay |
Bioorg Med Chem 20: 3816-27 (2012)
Article DOI: 10.1016/j.bmc.2012.04.033
BindingDB Entry DOI: 10.7270/Q2V69KND |
More data for this
Ligand-Target Pair | |
Thioredoxin reductase 1, cytoplasmic
(Rattus norvegicus) | BDBM50385290
(CHEMBL2035474)Show SMILES Cc1ccc2[se]n(CCCCCCn3[se]c4ccc(C)cc4c3=O)c(=O)c2c1 Show InChI InChI=1S/C22H24N2O2Se2/c1-15-7-9-19-17(13-15)21(25)23(27-19)11-5-3-4-6-12-24-22(26)18-14-16(2)8-10-20(18)28-24/h7-10,13-14H,3-6,11-12H2,1-2H3 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.91E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Peking University
Curated by ChEMBL
| Assay Description
Inhibition of TrxR1 in rat liver homogenate preincubated for 5 mins measured by DNTB assay |
Bioorg Med Chem 20: 3816-27 (2012)
Article DOI: 10.1016/j.bmc.2012.04.033
BindingDB Entry DOI: 10.7270/Q2V69KND |
More data for this
Ligand-Target Pair | |
Thioredoxin reductase 1, cytoplasmic
(Rattus norvegicus) | BDBM50385298
(CHEMBL2035465)Show SMILES O=c1n(CCCCCCCn2[se]c3ccccc3c2=O)[se]c2ccccc12 Show InChI InChI=1S/C21H22N2O2Se2/c24-20-16-10-4-6-12-18(16)26-22(20)14-8-2-1-3-9-15-23-21(25)17-11-5-7-13-19(17)27-23/h4-7,10-13H,1-3,8-9,14-15H2 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5.85E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Peking University
Curated by ChEMBL
| Assay Description
Inhibition of TrxR1 in rat liver homogenate preincubated for 5 mins measured by DNTB assay |
Bioorg Med Chem 20: 3816-27 (2012)
Article DOI: 10.1016/j.bmc.2012.04.033
BindingDB Entry DOI: 10.7270/Q2V69KND |
More data for this
Ligand-Target Pair | |
Thioredoxin reductase 1, cytoplasmic
(Rattus norvegicus) | BDBM50385303
(CHEMBL2035460 | US8592468, EbSe14)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
| Article
PubMed
| n/a | n/a | 6.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Peking University
Curated by ChEMBL
| Assay Description
Non-competitive inhibition of rat TrxR1 |
Bioorg Med Chem 20: 3816-27 (2012)
Article DOI: 10.1016/j.bmc.2012.04.033
BindingDB Entry DOI: 10.7270/Q2V69KND |
More data for this
Ligand-Target Pair | |
Thioredoxin reductase 1, cytoplasmic
(Rattus norvegicus) | BDBM50385284
(CHEMBL2035479)Show SMILES Cc1ccc2[se]n(C3CCC(CC3)n3[se]c4ccc(F)cc4c3=O)c(=O)c2c1 |(-10.91,4.24,;-9.58,3.48,;-9.58,1.93,;-8.25,1.16,;-6.92,1.93,;-5.44,1.45,;-4.53,2.71,;-2.99,2.71,;-2.23,1.38,;-.7,1.37,;.08,2.7,;-.69,4.04,;-2.23,4.05,;1.62,2.69,;2.57,1.47,;4.03,1.99,;5.39,1.27,;6.7,2.08,;6.64,3.62,;7.95,4.43,;5.29,4.35,;3.98,3.54,;2.49,3.97,;1.97,5.42,;-5.44,3.96,;-4.97,5.43,;-6.92,3.48,;-8.25,4.25,)| Show InChI InChI=1S/C21H19FN2O2Se2/c1-12-2-8-18-16(10-12)20(25)23(27-18)14-4-6-15(7-5-14)24-21(26)17-11-13(22)3-9-19(17)28-24/h2-3,8-11,14-15H,4-7H2,1H3 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.05E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Peking University
Curated by ChEMBL
| Assay Description
Inhibition of TrxR1 in rat liver homogenate preincubated for 5 mins measured by DNTB assay |
Bioorg Med Chem 20: 3816-27 (2012)
Article DOI: 10.1016/j.bmc.2012.04.033
BindingDB Entry DOI: 10.7270/Q2V69KND |
More data for this
Ligand-Target Pair | |
Thioredoxin reductase 1, cytoplasmic
(Rattus norvegicus) | BDBM50385296
(CHEMBL2035467)Show SMILES O=c1n([se]c2ccccc12)C1CCCCC1n1[se]c2ccccc2c1=O Show InChI InChI=1S/C20H18N2O2Se2/c23-19-13-7-1-5-11-17(13)25-21(19)15-9-3-4-10-16(15)22-20(24)14-8-2-6-12-18(14)26-22/h1-2,5-8,11-12,15-16H,3-4,9-10H2 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.28E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Peking University
Curated by ChEMBL
| Assay Description
Inhibition of TrxR1 in rat liver homogenate preincubated for 5 mins measured by DNTB assay |
Bioorg Med Chem 20: 3816-27 (2012)
Article DOI: 10.1016/j.bmc.2012.04.033
BindingDB Entry DOI: 10.7270/Q2V69KND |
More data for this
Ligand-Target Pair | |
Thioredoxin reductase 1, cytoplasmic
(Rattus norvegicus) | BDBM50385304
(CHEMBL2035490)Show SMILES CC(=O)Oc1ccc2[se]n(CCn3[se]c4ccc(OC(C)=O)cc4c3=O)c(=O)c2c1 Show InChI InChI=1S/C20H16N2O6Se2/c1-11(23)27-13-3-5-17-15(9-13)19(25)21(29-17)7-8-22-20(26)16-10-14(28-12(2)24)4-6-18(16)30-22/h3-6,9-10H,7-8H2,1-2H3 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.26E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Peking University
Curated by ChEMBL
| Assay Description
Inhibition of TrxR1 in rat liver homogenate preincubated for 5 mins measured by DNTB assay |
Bioorg Med Chem 20: 3816-27 (2012)
Article DOI: 10.1016/j.bmc.2012.04.033
BindingDB Entry DOI: 10.7270/Q2V69KND |
More data for this
Ligand-Target Pair | |
Thioredoxin reductase 1, cytoplasmic
(Rattus norvegicus) | BDBM50385294
(CHEMBL2035469)Show SMILES O=c1n([se]c2ccccc12)-c1ccc(cc1)-n1[se]c2ccccc2c1=O Show InChI InChI=1S/C20H12N2O2Se2/c23-19-15-5-1-3-7-17(15)25-21(19)13-9-11-14(12-10-13)22-20(24)16-6-2-4-8-18(16)26-22/h1-12H | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.43E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Peking University
Curated by ChEMBL
| Assay Description
Inhibition of TrxR1 in rat liver homogenate preincubated for 5 mins measured by DNTB assay |
Bioorg Med Chem 20: 3816-27 (2012)
Article DOI: 10.1016/j.bmc.2012.04.033
BindingDB Entry DOI: 10.7270/Q2V69KND |
More data for this
Ligand-Target Pair | |
Thioredoxin reductase 1, cytoplasmic
(Rattus norvegicus) | BDBM50385295
(CHEMBL2035468)Show SMILES O=c1n(Cc2ccc(cc2)-n2[se]c3ccccc3c2=O)[se]c2ccccc12 Show InChI InChI=1S/C21H14N2O2Se2/c24-20-16-5-1-3-7-18(16)26-22(20)13-14-9-11-15(12-10-14)23-21(25)17-6-2-4-8-19(17)27-23/h1-12H,13H2 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 4.77E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Peking University
Curated by ChEMBL
| Assay Description
Inhibition of TrxR1 in rat liver homogenate preincubated for 5 mins measured by DNTB assay |
Bioorg Med Chem 20: 3816-27 (2012)
Article DOI: 10.1016/j.bmc.2012.04.033
BindingDB Entry DOI: 10.7270/Q2V69KND |
More data for this
Ligand-Target Pair | |
Thioredoxin reductase 1, cytoplasmic
(Rattus norvegicus) | BDBM50385271
(CHEMBL2035493)Show InChI InChI=1S/C16H12N2O2S2/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
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.81E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Peking University
Curated by ChEMBL
| Assay Description
Inhibition of TrxR1 in rat liver homogenate preincubated for 5 mins measured by DNTB assay |
Bioorg Med Chem 20: 3816-27 (2012)
Article DOI: 10.1016/j.bmc.2012.04.033
BindingDB Entry DOI: 10.7270/Q2V69KND |
More data for this
Ligand-Target Pair | |
Thioredoxin reductase 1, cytoplasmic
(Rattus norvegicus) | BDBM50385289
(CHEMBL2035475)Show SMILES Cc1ccc2[se]n(C3CCC(CC3)n3[se]c4ccc(C)cc4c3=O)c(=O)c2c1 |(31.64,-34.83,;32.98,-35.6,;32.98,-37.14,;34.31,-37.91,;35.64,-37.14,;37.12,-37.62,;38.03,-36.37,;39.57,-36.37,;40.33,-37.7,;41.86,-37.7,;42.64,-36.37,;41.87,-35.04,;40.33,-35.03,;44.18,-36.38,;45.13,-37.61,;46.59,-37.08,;47.95,-37.81,;49.25,-37,;49.2,-35.45,;50.51,-34.64,;47.85,-34.73,;46.54,-35.53,;45.05,-35.1,;44.53,-33.65,;37.12,-35.11,;37.59,-33.65,;35.64,-35.59,;34.31,-34.83,)| Show InChI InChI=1S/C22H22N2O2Se2/c1-13-3-9-19-17(11-13)21(25)23(27-19)15-5-7-16(8-6-15)24-22(26)18-12-14(2)4-10-20(18)28-24/h3-4,9-12,15-16H,5-8H2,1-2H3 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Peking University
Curated by ChEMBL
| Assay Description
Inhibition of TrxR1 in rat liver homogenate preincubated for 5 mins measured by DNTB assay |
Bioorg Med Chem 20: 3816-27 (2012)
Article DOI: 10.1016/j.bmc.2012.04.033
BindingDB Entry DOI: 10.7270/Q2V69KND |
More data for this
Ligand-Target Pair | |
Thioredoxin reductase 1, cytoplasmic
(Rattus norvegicus) | BDBM50385272
(CHEMBL2035492)Show InChI InChI=1S/C16H12N2O4/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
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Peking University
Curated by ChEMBL
| Assay Description
Inhibition of TrxR1 in rat liver homogenate preincubated for 5 mins measured by DNTB assay |
Bioorg Med Chem 20: 3816-27 (2012)
Article DOI: 10.1016/j.bmc.2012.04.033
BindingDB Entry DOI: 10.7270/Q2V69KND |
More data for this
Ligand-Target Pair | |
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