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Compile Data Set for Download or QSAR
maximum 50k data
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
(change energy unit to
kcal/mol
)
Found
29
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Target
Siderophore-binding protein
(Mycobacterium tuberculosis)
Universit?? Degli Studi Di Firenze
Ligand
BDBM50146462
((2E)-3-(2-hydroxyphenyl)-2-propenoic acid | (2E)-3...)
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Affinity Data
Ki: 120nM ΔG°: -39.5kJ/mole
pH: 7.5 T: 2°C
Assay Description:
An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity [Khalifah et al., J. Biol. Chem., ...
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Target
Beta-carbonic anhydrase 1
(Mycobacterium tuberculosis)
Universit?? Degli Studi Di Firenze
Ligand
BDBM50146462
((2E)-3-(2-hydroxyphenyl)-2-propenoic acid | (2E)-3...)
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Affinity Data
Ki: 2.25E+3nM ΔG°: -32.2kJ/mole
pH: 7.5 T: 2°C
Assay Description:
An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity [Khalifah et al., J. Biol. Chem., ...
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Target
Carbonic anhydrase 1
(Homo sapiens (Human))
Universit£
Curated by
ChEMBL
Ligand
BDBM50146462
((2E)-3-(2-hydroxyphenyl)-2-propenoic acid | (2E)-3...)
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Affinity Data
Ki: 3.10E+3nM
Assay Description:
Inhibition of human carbonic anhydrase 1 after 15 mins by stopped flow CO2 hydration method
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Target
Carbonic anhydrase 1
(Homo sapiens (Human))
Universit£
Curated by
ChEMBL
Ligand
BDBM50146462
((2E)-3-(2-hydroxyphenyl)-2-propenoic acid | (2E)-3...)
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Affinity Data
Ki: 3.10E+3nM
Assay Description:
Inhibition of human carbonic anhydrase 1 preincubated for 15 mins by CO2 hydration stopped-flow assay
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Target
Carbonic anhydrase 1
(Homo sapiens (Human))
Universit£
Curated by
ChEMBL
Ligand
BDBM50146462
((2E)-3-(2-hydroxyphenyl)-2-propenoic acid | (2E)-3...)
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Affinity Data
Ki: 3.40E+3nM
Assay Description:
Inhibition of human CA1 pre-incubated for 15 mins to 24 hrs measured after 6 hrs by phenol red-based stopped-flow CO2 hydrase assay
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Target
Carbonic anhydrase 2
(Mycobacterium tuberculosis)
Universit?? Degli Studi Di Firenze
Ligand
BDBM50146462
((2E)-3-(2-hydroxyphenyl)-2-propenoic acid | (2E)-3...)
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Affinity Data
Ki: 4.17E+3nM ΔG°: -30.7kJ/mole
pH: 7.5 T: 2°C
Assay Description:
An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity [Khalifah et al., J. Biol. Chem., ...
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Target
Carbonic anhydrase 2
(Homo sapiens (Human))
Universit£
Curated by
ChEMBL
Ligand
BDBM50146462
((2E)-3-(2-hydroxyphenyl)-2-propenoic acid | (2E)-3...)
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Affinity Data
Ki: 9.20E+3nM
Assay Description:
Inhibition of human carbonic anhydrase 2 after 15 mins by stopped flow CO2 hydration method
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3D Structure (crystal)
Copy BDB DOI
Target
Carbonic anhydrase 2
(Homo sapiens (Human))
Universit£
Curated by
ChEMBL
Ligand
BDBM50146462
((2E)-3-(2-hydroxyphenyl)-2-propenoic acid | (2E)-3...)
Copy SMILES
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Affinity Data
Ki: 9.20E+3nM
Assay Description:
Inhibition of human carbonic anhydrase 2 preincubated for 15 mins by CO2 hydration stopped-flow assay
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Target
Carbonic anhydrase 2
(Homo sapiens (Human))
Universit£
Curated by
ChEMBL
Ligand
BDBM50146462
((2E)-3-(2-hydroxyphenyl)-2-propenoic acid | (2E)-3...)
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Affinity Data
Ki: 9.30E+3nM
Assay Description:
Inhibition of human CA2 pre-incubated for 15 mins to 24 hrs measured after 6 hrs by phenol red-based stopped-flow CO2 hydrase assay
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Target
Carbonic anhydrase 4
(Homo sapiens (Human))
Universit£
Curated by
ChEMBL
Ligand
BDBM50146462
((2E)-3-(2-hydroxyphenyl)-2-propenoic acid | (2E)-3...)
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Affinity Data
Ki: 6.23E+4nM
Assay Description:
Inhibition of human carbonic anhydrase 4 after 15 mins by stopped flow CO2 hydration method
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Target
Carbonic anhydrase 9
(Homo sapiens (Human))
Universit£
Curated by
ChEMBL
Ligand
BDBM50146462
((2E)-3-(2-hydroxyphenyl)-2-propenoic acid | (2E)-3...)
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Affinity Data
Ki: >1.00E+5nM
Assay Description:
Inhibition of human CA9 pre-incubated for 15 mins to 24 hrs measured after 6 hrs by phenol red-based stopped-flow CO2 hydrase assay
More data for this Ligand-Target Pair
Target Info
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Target
Carbonic anhydrase 5B, mitochondrial
(Homo sapiens (Human))
Universit£
Curated by
ChEMBL
Ligand
BDBM50146462
((2E)-3-(2-hydroxyphenyl)-2-propenoic acid | (2E)-3...)
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Affinity Data
Ki: 5.78E+5nM
Assay Description:
Inhibition of human carbonic anhydrase 5b after 15 mins by stopped flow CO2 hydration method
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Target
Carbonic anhydrase 9
(Homo sapiens (Human))
Universit£
Curated by
ChEMBL
Ligand
BDBM50146462
((2E)-3-(2-hydroxyphenyl)-2-propenoic acid | (2E)-3...)
Copy SMILES
Copy InChI
Affinity Data
Ki: >1.00E+6nM
Assay Description:
Inhibition of human carbonic anhydrase 9 preincubated for 15 mins by CO2 hydration stopped-flow assay
More data for this Ligand-Target Pair
Target Info
PDB
MMDB
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KEGG
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Target
Carbonic anhydrase 12
(Homo sapiens (Human))
University Of Calgary
Curated by
ChEMBL
Ligand
BDBM50146462
((2E)-3-(2-hydroxyphenyl)-2-propenoic acid | (2E)-3...)
Copy SMILES
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Affinity Data
Ki: >1.00E+6nM
Assay Description:
Inhibition of human carbonic anhydrase 12 preincubated for 15 mins by CO2 hydration stopped-flow assay
More data for this Ligand-Target Pair
Target Info
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Target
Carbonic anhydrase 15
(Mus musculus)
Universit£
Curated by
ChEMBL
Ligand
BDBM50146462
((2E)-3-(2-hydroxyphenyl)-2-propenoic acid | (2E)-3...)
Copy SMILES
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Affinity Data
Ki: >1.00E+6nM
Assay Description:
Inhibition of mouse carbonic anhydrase 15 after 15 mins by stopped flow CO2 hydration method
More data for this Ligand-Target Pair
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Target
Carbonic anhydrase 14
(Homo sapiens (Human))
Universit£
Curated by
ChEMBL
Ligand
BDBM50146462
((2E)-3-(2-hydroxyphenyl)-2-propenoic acid | (2E)-3...)
Copy SMILES
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Affinity Data
Ki: >1.00E+6nM
Assay Description:
Inhibition of human carbonic anhydrase 14 after 15 mins by stopped flow CO2 hydration method
More data for this Ligand-Target Pair
Target Info
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Target
Carbonic anhydrase 13
(Homo sapiens (Human))
Universit£
Curated by
ChEMBL
Ligand
BDBM50146462
((2E)-3-(2-hydroxyphenyl)-2-propenoic acid | (2E)-3...)
Copy SMILES
Copy InChI
Affinity Data
Ki: >1.00E+6nM
Assay Description:
Inhibition of human carbonic anhydrase 13 after 15 mins by stopped flow CO2 hydration method
More data for this Ligand-Target Pair
Target Info
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Target
Carbonic anhydrase 12
(Homo sapiens (Human))
University Of Calgary
Curated by
ChEMBL
Ligand
BDBM50146462
((2E)-3-(2-hydroxyphenyl)-2-propenoic acid | (2E)-3...)
Copy SMILES
Copy InChI
Affinity Data
Ki: >1.00E+6nM
Assay Description:
Inhibition of human carbonic anhydrase 12 after 15 mins by stopped flow CO2 hydration method
More data for this Ligand-Target Pair
Target Info
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Target
Carbonic anhydrase 9
(Homo sapiens (Human))
Universit£
Curated by
ChEMBL
Ligand
BDBM50146462
((2E)-3-(2-hydroxyphenyl)-2-propenoic acid | (2E)-3...)
Copy SMILES
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Affinity Data
Ki: >1.00E+6nM
Assay Description:
Inhibition of human carbonic anhydrase 9 after 15 mins by stopped flow CO2 hydration method
More data for this Ligand-Target Pair
Target Info
PDB
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Target
Carbonic anhydrase 3
(Homo sapiens (Human))
Universit£
Curated by
ChEMBL
Ligand
BDBM50146462
((2E)-3-(2-hydroxyphenyl)-2-propenoic acid | (2E)-3...)
Copy SMILES
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Affinity Data
Ki: >1.00E+6nM
Assay Description:
Inhibition of human carbonic anhydrase 3 after 15 mins by stopped flow CO2 hydration method
More data for this Ligand-Target Pair
Target Info
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Target
Carbonic anhydrase 5A, mitochondrial
(Homo sapiens (Human))
Universit£
Curated by
ChEMBL
Ligand
BDBM50146462
((2E)-3-(2-hydroxyphenyl)-2-propenoic acid | (2E)-3...)
Copy SMILES
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Affinity Data
Ki: >1.00E+6nM
Assay Description:
Inhibition of human carbonic anhydrase 5a after 15 mins by stopped flow CO2 hydration method
More data for this Ligand-Target Pair
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Target
Carbonic anhydrase 6
(Homo sapiens (Human))
Universit£
Curated by
ChEMBL
Ligand
BDBM50146462
((2E)-3-(2-hydroxyphenyl)-2-propenoic acid | (2E)-3...)
Copy SMILES
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Affinity Data
Ki: >1.00E+6nM
Assay Description:
Inhibition of human carbonic anhydrase 6 after 15 mins by stopped flow CO2 hydration method
More data for this Ligand-Target Pair
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Target
Carbonic anhydrase 7
(Homo sapiens (Human))
Universit£
Curated by
ChEMBL
Ligand
BDBM50146462
((2E)-3-(2-hydroxyphenyl)-2-propenoic acid | (2E)-3...)
Copy SMILES
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Affinity Data
Ki: >1.00E+6nM
Assay Description:
Inhibition of human carbonic anhydrase 7 after 15 mins by stopped flow CO2 hydration method
More data for this Ligand-Target Pair
Target Info
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Target
Nuclear factor NF-kappa-B p105 subunit
(Homo sapiens (Human))
Biopharmanet
Curated by
ChEMBL
Ligand
BDBM50146462
((2E)-3-(2-hydroxyphenyl)-2-propenoic acid | (2E)-3...)
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Affinity Data
IC50: 5.00E+4nM
Assay Description:
Inhibition of NF-KB p50 subunit/DNA interaction after 20 mins by EMSA
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Target
Tyrosine-protein phosphatase non-receptor type 1 [1-321]
(Homo sapiens (Human))
Chulalongkorn University
Ligand
BDBM50146462
((2E)-3-(2-hydroxyphenyl)-2-propenoic acid | (2E)-3...)
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Affinity Data
IC50: 1.38E+5nM
pH: 7.5 T: 2°C
Assay Description:
PTP1B was diluted before the experiment to 1.2 μg/mL in Tris buffer, pH7.6 (10 mM Tris, 1.0 mM EDTA, 3.0 mM DTT, 0.01% w/v NaN3). The tested com...
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Target
Xanthine dehydrogenase/oxidase
(Homo sapiens (Human))
National Institute Of Medicinal Materials
Curated by
ChEMBL
Ligand
BDBM50146462
((2E)-3-(2-hydroxyphenyl)-2-propenoic acid | (2E)-3...)
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Affinity Data
IC50: 1.94E+5nM
Assay Description:
Inhibition of xanthine oxidase- mediated uric acid formation after 5 mins by spectrophotometry
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Target
Polyphenol oxidase 2
(Agaricus bisporus (Common mushroom))
Chungnam National University
Curated by
ChEMBL
Ligand
BDBM50146462
((2E)-3-(2-hydroxyphenyl)-2-propenoic acid | (2E)-3...)
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Affinity Data
IC50: 6.70E+5nM
Assay Description:
Inhibition of mushroom tyrosinase after 10 mins by spectrophotometry
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Target
Dihydroorotate dehydrogenase (fumarate)
(Leishmania major)
University Of S£O Paulo
Curated by
ChEMBL
Ligand
BDBM50146462
((2E)-3-(2-hydroxyphenyl)-2-propenoic acid | (2E)-3...)
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Affinity Data
IC50: 7.94E+5nM
Assay Description:
Inhibition of recombinant oligo-histidine-tagged Leishmania major DHODH expressed in Escherichia coli BL21(DE3) cells using DHO as substrate measured...
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Target
Dihydroorotate dehydrogenase (fumarate)
(Leishmania major)
University Of S£O Paulo
Curated by
ChEMBL
Ligand
BDBM50146462
((2E)-3-(2-hydroxyphenyl)-2-propenoic acid | (2E)-3...)
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Affinity Data
IC50: 8.06E+5nM
Assay Description:
Inhibition of recombinant oligo-histidine-tagged Leishmania major DHODH expressed in Escherichia coli BL21(DE3) cells using DHO as substrate measured...
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