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 12 hits for monomerid = 50085536

Carbonic anhydrase 2(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: 2.25E+3nMAssay Description:Inhibition of human CA2 by stopped-flow CO2 hydration assayMore data for this Ligand-Target Pair

PDB MMDB Reactome pathway KEGG
UniProtKB/SwissProt
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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: 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
UniProtKB/SwissProt
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BindingDB Entry DOI: 10.7270/Q2GQ6ZP1PubMed

Carbonic anhydrase 5A, mitochondrial(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: 4.08E+3nMAssay Description:Inhibition of human CA5A by stopped-flow CO2 hydration assayMore data for this Ligand-Target Pair

Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar

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BindingDB Entry DOI: 10.7270/Q2GQ6ZP1PubMed

Carbonic anhydrase 7(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: 6.07E+3nMAssay Description:Inhibition of human CA7 by stopped-flow CO2 hydration assayMore data for this Ligand-Target Pair

PDB MMDB Reactome pathway KEGG
UniProtKB/SwissProt
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BindingDB Entry DOI: 10.7270/Q2GQ6ZP1PubMed

Carbonic anhydrase 6(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: 6.13E+3nMAssay Description:Inhibition of human CA6 by stopped-flow CO2 hydration assayMore data for this Ligand-Target Pair

PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar

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BindingDB Entry DOI: 10.7270/Q2GQ6ZP1PubMed

Carbonic anhydrase 9(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: 6.99E+3nMAssay Description:Inhibition of human CA9 by stopped-flow CO2 hydration assayMore data for this Ligand-Target Pair

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

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BindingDB Entry DOI: 10.7270/Q2GQ6ZP1PubMed

Carbonic anhydrase 14(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: 7.03E+3nMAssay Description:Inhibition of human CA14 by stopped-flow CO2 hydration assayMore data for this Ligand-Target Pair

PDB Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar

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BindingDB Entry DOI: 10.7270/Q2GQ6ZP1PubMed

Carbonic anhydrase 3(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: 7.49E+3nMAssay Description:Inhibition of human CA3 by stopped-flow CO2 hydration assayMore data for this Ligand-Target Pair

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

Carbonic anhydrase 12(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: 7.78E+3nMAssay Description:Inhibition of human CA12 by stopped-flow CO2 hydration assayMore data for this Ligand-Target Pair

PDB MMDB Reactome pathway KEGG
UniProtKB/SwissProt
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BindingDB Entry DOI: 10.7270/Q2GQ6ZP1PubMed

Carbonic anhydrase 4(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: 9.80E+3nMAssay Description:Inhibition of human CA4 by stopped-flow CO2 hydration assayMore data for this Ligand-Target Pair

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

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Details Article
BindingDB Entry DOI: 10.7270/Q2GQ6ZP1PubMed

Carbonic anhydrase 13(Mus musculus (mouse))
Universit£ degli Studi di Firenze

Curated by ChEMBL

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

Ki: 9.86E+3nMAssay Description:Inhibition of mouse CA13 by stopped-flow CO2 hydration assayMore data for this Ligand-Target Pair

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

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Details Article
BindingDB Entry DOI: 10.7270/Q2GQ6ZP1PubMed

Carbonic anhydrase 5B, mitochondrial(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: 9.97E+3nMAssay Description:Inhibition of human CA5B by stopped-flow CO2 hydration assayMore data for this Ligand-Target Pair

Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar

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Details Article
BindingDB Entry DOI: 10.7270/Q2GQ6ZP1PubMed

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