BindingDB

null

SMILES Cc1cccc(Nc2ccccc2C(O)=O)c1C

InChI Key InChIKey=HYYBABOKPJLUIN-UHFFFAOYSA-N

PDB links: 5 PDB IDs match this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50134036

Aldo-keto reductase family 1 member B10(Homo sapiens (Human))
Universit£ degli Studi di Messina

Curated by ChEMBL

BDBM50134036(2-(2,3-Dimethyl-phenylamino)-benzoic acid | 2-(2,3...)copy SMILEScopy InChI

IC50: 1.60E+3nMAssay Description:Inhibition of wild-type N-terminal 6-His tagged AKR1B10 (unknown origin) expressed in Escherichia coli BL21(DE3) assessed as pyridine-3-aldehyde redu...More data for this Ligand-Target Pair

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Details Article
BindingDB Entry DOI: 10.7270/Q2D79D4XPubMed

Targets 20 ▿
- Prostaglandin G/H synthase 2 5
- Prostaglandin G/H synthase 1 4
- Transient receptor potential cation channel subfamily A member 1 3
- Aldo-keto reductase family 1 member C3 2
- Aldo-keto reductase family 1 member C2 2
- Aldo-keto reductase family 1 member C1 2
- Myeloperoxidase 2
- Bile salt export pump 2
- Beta-lactamase 1
- ATP-binding cassette sub-family C member 3 1
- ATP-binding cassette sub-family C member 4 1
- Aldo-keto reductase family 1 member B10 1
- ATP-binding cassette sub-family C member 2 1
- Aldo-keto reductase family 1 member C4 1
- Malate dehydrogenase, cytoplasmic 1
- Aldo-keto reductase family 1 member B1 1
- Cytochrome P450 2J2 1
- Dihydrofolate reductase 1
- NACHT, LRR and PYD domains-containing protein 3 1
- Glycogen synthase kinase-3 beta 1
Publications 14 ▿
- Eur J Med Chem 62: 738-44 (2013) 6
- Toxicol Sci 136: 216-41 (2013) 4
- Eur J Med Chem 170: 141-156 (2019) 3
- Proc Natl Acad Sci U S A 96: 7563-8 (1999) 3
- J Med Chem 55: 7417-24 (2012) 3
- J Med Chem 60: 6563-6586 (2017) 2
- Am J Med 104: 413-21 (1998) 2
- J Med Chem 46: 4477-86 (2003) 2
- J Med Chem 58: 2047-67 (2015) 2
- Eur J Med Chem 185: (2020) 1
- PubChem Bioassay (2010) 1
- J Med Chem 63: 8314-8324 (2020) 1
- Hepatology 60: 1015-22 (2014) 1
- Drug Metab Dispos 41: 60-71 (2012) 1
Institutions 14 ▿
- [University of Auckland] 6
- [Amgen Inc] 4
- [University of Hull, University of Ljubljana, St. Bartholomew's and the Royal London School of Medicine and Dentistry] 3
- [University of Hull, University of Ljubljana, St. Bartholomew's and the Royal London School of Medicine and Dentistry] 3
- [University of Hull, University of Ljubljana, St. Bartholomew's and the Royal London School of Medicine and Dentistry] 3
- [Universit£ Libre de Bruxelles, Dallas Department of Veterans Affairs Medical Center, Northwestern University, Universit£ degli Studi di Messina] 2
- [Universit£ Libre de Bruxelles, Dallas Department of Veterans Affairs Medical Center, Northwestern University, Universit£ degli Studi di Messina] 2
- [Universit£ Libre de Bruxelles, Dallas Department of Veterans Affairs Medical Center, Northwestern University, Universit£ degli Studi di Messina] 2
- [Universit£ Libre de Bruxelles, Dallas Department of Veterans Affairs Medical Center, Northwestern University, Universit£ degli Studi di Messina] 2
- [University of Tennessee, Pfizer Inc., Tongji University, Shandong University, Broad Institute] 1
- [University of Tennessee, Pfizer Inc., Tongji University, Shandong University, Broad Institute] 1
- [University of Tennessee, Pfizer Inc., Tongji University, Shandong University, Broad Institute] 1
- [University of Tennessee, Pfizer Inc., Tongji University, Shandong University, Broad Institute] 1
- [University of Tennessee, Pfizer Inc., Tongji University, Shandong University, Broad Institute] 1
Affinity: 1.6E+2 to 7.7E+5 nM▿
- Ki 9
- IC50 21
- EC50 4
- Affinity ≤ nM
Xtal structures: 1
Docked structures: 0
Catalog Cmpds: 1