BindingDB

null

SMILES OC(=O)c1cc(O)c(O)c(O)c1

InChI Key InChIKey=LNTHITQWFMADLM-UHFFFAOYSA-N

PDB links: 10 PDB IDs match this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50085536

Carbonic anhydrase 1(Homo sapiens (Human))
Universit£ degli Studi di Firenze

Curated by ChEMBL

BDBM50085536(3,4,5-Trihydroxybenzoate, X | 3,4,5-trihydroxybenz...)copy SMILEScopy InChI

Ki: 3.20E+3nMAssay Description:Inhibition of human CA1 by stopped-flow CO2 hydration assayMore data for this Ligand-Target Pair

PDB MMDB NCI pathway Reactome pathway KEGG
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Details Article
BindingDB Entry DOI: 10.7270/Q2GQ6ZP1PubMed

Carbonic anhydrase 1(Homo sapiens (Human))
Universit£ degli Studi di Firenze

Curated by ChEMBL

BDBM50085536(3,4,5-Trihydroxybenzoate, X | 3,4,5-trihydroxybenz...)copy SMILEScopy InChI

Ki: 1.05E+6nM ΔG°: -4.06kcal/molepH: 7.4 T: 2°CAssay Description:Carbonic anhydrase activity was assayed by following the change in absorbance at 348 nm of 4-nitrophenylacetate (NPA) to 4-nitrophenylate ion using s...More data for this Ligand-Target Pair

PDB MMDB NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar

Purchase CHEMBL MCE
KEGG MMDB PC cid PC sid PDB Patents Similars

Details Article
BindingDB Entry DOI: 10.7270/Q23F4N46PubMed

Targets 39 ▿
- Polypeptide N-acetylgalactosaminyltransferase 2 4
- Carbonic anhydrase 1 2
- Amyloid-beta precursor protein 2
- Carbonic anhydrase 2 2
- Alpha-(1,3)-fucosyltransferase 7 2
- Carbonic anhydrase 12 1
- Squalene monooxygenase 1
- Carbonic anhydrase 14 1
- Carbonic anhydrase 13 1
- 4-galactosyl-N-acetylglucosaminide 3-alpha-L-fucosyltransferase FUT6 1
- Alpha-glucosidase MAL62 1
- Autoinducer 2-binding periplasmic protein LuxP 1
- Plasminogen activator inhibitor 1 1
- Dipeptidyl peptidase 4 1
- Nitric oxide synthase, inducible 1
- L-selectin 1
- Anthrax toxin receptor 2 1
- Carbonic anhydrase 5A, mitochondrial 1
- Pancreatic triacylglycerol lipase 1
- Alpha-synuclein 1
- Hemoglobin subunit beta 1
- Disintegrin and metalloproteinase domain-containing protein 17 1
- Toll-like receptor 2 1
- Reverse transcriptase/RNaseH 1
- Carbonic anhydrase 5B, mitochondrial 1
- E-selectin 1
- Carbonic anhydrase 1
- CMP-N-acetylneuraminate-beta-galactosamide-alpha-2,3-sialyltransferase 1 1
- Carbonic anhydrase 6 1
- Carbonic anhydrase 7 1
- Proteasome subunit beta type-5 1
- Carbonic anhydrase 9 1
- 72 kDa type IV collagenase 1
- Angiotensin-converting enzyme 1
- Carbonic anhydrase 3 1
- P-selectin 1
- Carbonic anhydrase 4 1
- Prolyl 4-hydroxylase subunit alpha-1 1
- Matrilysin 1
Publications 19 ▿
- Bioorg Med Chem 18: 2159-64 (2010) 12
- Arch Biochem Biophys 425: 51-7 (2004) 7
- Bioorg Med Chem 27: 3372-3382 (2019) 4
- J Med Chem 50: 1101-15 (2007) 3
- Chem Biol Drug Des 75: 515-20 (2010) 2
- Bioorg Med Chem Lett 22: 6410-2 (2012) 1
- J Nat Prod 51: 357-359 (1988) 1
- Bioorg Med Chem 16: 9867-70 (2008) 1
- J Nat Prod 64: 1010-4 (2001) 1
- Bioorg Med Chem 28: (2020) 1
- J Biol Chem 285: 7892-902 (2010) 1
- Eur J Med Chem 179: 233-245 (2019) 1
- Eur J Med Chem 167: 291-311 (2019) 1
- Bioorg Med Chem Lett 11: 2763-7 (2001) 1
- Eur J Med Chem 151: 145-157 (2018) 1
- Bioorg Med Chem Lett 18: 1567-72 (2008) 1
- Bioorg Med Chem Lett 21: 4259-62 (2011) 1
- J Biol Chem 261: 7819-23 (1986) 1
- J Med Chem 56: 1940-5 (2013) 1
Institutions 19 ▿
- [Universit£ degli Studi di Firenze] 12
- [Schering Plough Research Institute] 7
- [Shanghai Jiao Tong University] 4
- [Revotar Biopharmaceuticals AG] 3
- [Ataturk University] 2
- [University of Michigan, Chinese Academy of Sciences, National Cheng Kung University, Gumushane University, University of Shizuoka, University of Oulu, Hokkaido University, TBA, Harvard Medical School, University of Toledo, Institute of Agricultural and Food Biotechnology, Southern Medical University, Georgia State University, Zhengzhou University] 1
- [University of Michigan, Chinese Academy of Sciences, National Cheng Kung University, Gumushane University, University of Shizuoka, University of Oulu, Hokkaido University, TBA, Harvard Medical School, University of Toledo, Institute of Agricultural and Food Biotechnology, Southern Medical University, Georgia State University, Zhengzhou University] 1
- [University of Michigan, Chinese Academy of Sciences, National Cheng Kung University, Gumushane University, University of Shizuoka, University of Oulu, Hokkaido University, TBA, Harvard Medical School, University of Toledo, Institute of Agricultural and Food Biotechnology, Southern Medical University, Georgia State University, Zhengzhou University] 1
- [University of Michigan, Chinese Academy of Sciences, National Cheng Kung University, Gumushane University, University of Shizuoka, University of Oulu, Hokkaido University, TBA, Harvard Medical School, University of Toledo, Institute of Agricultural and Food Biotechnology, Southern Medical University, Georgia State University, Zhengzhou University] 1
- [University of Michigan, Chinese Academy of Sciences, National Cheng Kung University, Gumushane University, University of Shizuoka, University of Oulu, Hokkaido University, TBA, Harvard Medical School, University of Toledo, Institute of Agricultural and Food Biotechnology, Southern Medical University, Georgia State University, Zhengzhou University] 1
- [University of Michigan, Chinese Academy of Sciences, National Cheng Kung University, Gumushane University, University of Shizuoka, University of Oulu, Hokkaido University, TBA, Harvard Medical School, University of Toledo, Institute of Agricultural and Food Biotechnology, Southern Medical University, Georgia State University, Zhengzhou University] 1
- [University of Michigan, Chinese Academy of Sciences, National Cheng Kung University, Gumushane University, University of Shizuoka, University of Oulu, Hokkaido University, TBA, Harvard Medical School, University of Toledo, Institute of Agricultural and Food Biotechnology, Southern Medical University, Georgia State University, Zhengzhou University] 1
- [University of Michigan, Chinese Academy of Sciences, National Cheng Kung University, Gumushane University, University of Shizuoka, University of Oulu, Hokkaido University, TBA, Harvard Medical School, University of Toledo, Institute of Agricultural and Food Biotechnology, Southern Medical University, Georgia State University, Zhengzhou University] 1
- [University of Michigan, Chinese Academy of Sciences, National Cheng Kung University, Gumushane University, University of Shizuoka, University of Oulu, Hokkaido University, TBA, Harvard Medical School, University of Toledo, Institute of Agricultural and Food Biotechnology, Southern Medical University, Georgia State University, Zhengzhou University] 1
- [University of Michigan, Chinese Academy of Sciences, National Cheng Kung University, Gumushane University, University of Shizuoka, University of Oulu, Hokkaido University, TBA, Harvard Medical School, University of Toledo, Institute of Agricultural and Food Biotechnology, Southern Medical University, Georgia State University, Zhengzhou University] 1
- [University of Michigan, Chinese Academy of Sciences, National Cheng Kung University, Gumushane University, University of Shizuoka, University of Oulu, Hokkaido University, TBA, Harvard Medical School, University of Toledo, Institute of Agricultural and Food Biotechnology, Southern Medical University, Georgia State University, Zhengzhou University] 1
- [University of Michigan, Chinese Academy of Sciences, National Cheng Kung University, Gumushane University, University of Shizuoka, University of Oulu, Hokkaido University, TBA, Harvard Medical School, University of Toledo, Institute of Agricultural and Food Biotechnology, Southern Medical University, Georgia State University, Zhengzhou University] 1
- [University of Michigan, Chinese Academy of Sciences, National Cheng Kung University, Gumushane University, University of Shizuoka, University of Oulu, Hokkaido University, TBA, Harvard Medical School, University of Toledo, Institute of Agricultural and Food Biotechnology, Southern Medical University, Georgia State University, Zhengzhou University] 1
- [University of Michigan, Chinese Academy of Sciences, National Cheng Kung University, Gumushane University, University of Shizuoka, University of Oulu, Hokkaido University, TBA, Harvard Medical School, University of Toledo, Institute of Agricultural and Food Biotechnology, Southern Medical University, Georgia State University, Zhengzhou University] 1
Affinity: 1.7 to 5.2E+9 nM▿
- Ki 16
- IC50 25
- Kd 1
- EC50 2
- Affinity ≤ nM
Xtal structures: 1
Docked structures: 1
Catalog Cmpds: 1