BindingDB

null

SMILES O=C(\C=C\c1ccccc1)c1ccccc1

InChI Key InChIKey=DQFBYFPFKXHELB-VAWYXSNFSA-N

PDB links: 4 PDB IDs contain inhibitors having a similarity of 90% to this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 29143

Thioredoxin reductase 1, cytoplasmic(Rattus norvegicus)
National University of Singapore

Curated by ChEMBL

BDBM29143(CHEMBL7976 | Chalcone 1 | Chalcone, 13 | cid_63776...)copy SMILEScopy InChI

IC50: 4.64E+4nMAssay Description:Inhibition of recombinant rat liver thioredoxin reductase after 30 mins by DTNB reduction assayMore data for this Ligand-Target Pair

PDB MMDB KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar

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Details Article
BindingDB Entry DOI: 10.7270/Q2FJ2K2VPubMed

Thioredoxin reductase 1, cytoplasmic(Rattus norvegicus)
National University of Singapore

Curated by ChEMBL

BDBM29143(CHEMBL7976 | Chalcone 1 | Chalcone, 13 | cid_63776...)copy SMILEScopy InChI

IC50: 2.67E+4nMAssay Description:Inhibition of recombinant rat liver thioredoxin reductase after 60 mins by DTNB reduction assayMore data for this Ligand-Target Pair

PDB MMDB KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar

Purchase CHEMBL MCE
KEGG PC cid PC sid Similars

Details Article
BindingDB Entry DOI: 10.7270/Q2FJ2K2VPubMed

Targets 17 ▿
- Amine oxidase [flavin-containing] B 3
- Polyunsaturated fatty acid 5-lipoxygenase 2
- Amine oxidase [flavin-containing] A 2
- Thioredoxin reductase 1, cytoplasmic 2
- Stromal cell-derived factor 1 1
- Prostaglandin G/H synthase 2 1
- Prostaglandin G/H synthase 1 1
- Pancreatic alpha-amylase 1
- Cholinesterase 1
- Carboxylic ester hydrolase 1
- Sortase family protein 1
- Tumor necrosis factor receptor superfamily member 1A 1
- Androgen receptor 1
- Dihydrofolate reductase 1
- Perilipin-5 1
- Pancreatic triacylglycerol lipase 1
- Perilipin-1 1
Publications 13 ▿
- Bioorg Med Chem Lett 14: 2559-62 (2004) 3
- J Med Chem 60: 1734-1745 (2017) 2
- J Med Chem 52: 2818-24 (2009) 2
- J Biol Chem 283: 23189-99 (2008) 1
- J Med Chem 48: 5666-74 (2005) 1
- Bioorg Med Chem Lett 14: 1513-7 (2004) 1
- Eur J Med Chem 115: 63-74 (2016) 1
- Bioorg Med Chem 21: 7890-7 (2013) 1
- Bioorg Med Chem 23: 6725-32 (2015) 1
- J Enzyme Inhib Med Chem 20: 41-7 (2005) 1
- PubChem Bioassay (2011) 1
- PubChem Bioassay (2011) 1
- Eur J Med Chem 80: 228-42 (2014) 1
Institutions 11 ▿
- [National University of Singapore, Yeungnam University] 3
- [National University of Singapore, Yeungnam University] 3
- [Universita degli Studi di Roma La Sapienza, The Scripps Research Institute Molecular Screening Center] 2
- [Universita degli Studi di Roma La Sapienza, The Scripps Research Institute Molecular Screening Center] 2
- [University of Basel, University of Florida, Université Louis Pasteur, Konkuk University, Freie Universit£t Berlin, Quaid-i-Azam University, AtheroGenics, Inc.] 1
- [University of Basel, University of Florida, Université Louis Pasteur, Konkuk University, Freie Universit£t Berlin, Quaid-i-Azam University, AtheroGenics, Inc.] 1
- [University of Basel, University of Florida, Université Louis Pasteur, Konkuk University, Freie Universit£t Berlin, Quaid-i-Azam University, AtheroGenics, Inc.] 1
- [University of Basel, University of Florida, Université Louis Pasteur, Konkuk University, Freie Universit£t Berlin, Quaid-i-Azam University, AtheroGenics, Inc.] 1
- [University of Basel, University of Florida, Université Louis Pasteur, Konkuk University, Freie Universit£t Berlin, Quaid-i-Azam University, AtheroGenics, Inc.] 1
- [University of Basel, University of Florida, Université Louis Pasteur, Konkuk University, Freie Universit£t Berlin, Quaid-i-Azam University, AtheroGenics, Inc.] 1
- [University of Basel, University of Florida, Université Louis Pasteur, Konkuk University, Freie Universit£t Berlin, Quaid-i-Azam University, AtheroGenics, Inc.] 1
Affinity: 56 to 1.4E+6 nM▿
- Ki 3
- IC50 18
- Affinity ≤ nM
Xtal structures: 0
Docked structures: 0
Catalog Cmpds: 1