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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
39
hits in this display
Target
Siderophore-binding protein
(Mycobacterium tuberculosis)
Universit?? Degli Studi Di Firenze
Ligand
BDBM4374
((2E)-3-(4-hydroxyphenyl)prop-2-enoic acid | (2E)-3...)
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Affinity Data
Ki: 600nM ΔG°: -35.5kJ/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
Carbonic anhydrase 2
(Homo sapiens (Human))
Universit£
Curated by
ChEMBL
Ligand
BDBM4374
((2E)-3-(4-hydroxyphenyl)prop-2-enoic acid | (2E)-3...)
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Affinity Data
Ki: 980nM
Assay Description:
Inhibition of human CA2 by stopped-flow CO2 hydration assay
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Target
Carbonic anhydrase 1
(Homo sapiens (Human))
Universit£
Curated by
ChEMBL
Ligand
BDBM4374
((2E)-3-(4-hydroxyphenyl)prop-2-enoic acid | (2E)-3...)
Copy SMILES
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Affinity Data
Ki: 1.07E+3nM
Assay Description:
Inhibition of human CA1 by stopped-flow CO2 hydration assay
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Target
Carbonic anhydrase 2
(Mycobacterium tuberculosis)
Universit?? Degli Studi Di Firenze
Ligand
BDBM4374
((2E)-3-(4-hydroxyphenyl)prop-2-enoic acid | (2E)-3...)
Copy SMILES
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Affinity Data
Ki: 1.56E+3nM ΔG°: -33.1kJ/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
BDBM4374
((2E)-3-(4-hydroxyphenyl)prop-2-enoic acid | (2E)-3...)
Copy SMILES
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Affinity Data
Ki: 3.03E+3nM ΔG°: -31.5kJ/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
Carbonic anhydrase 7
(Homo sapiens (Human))
Universit£
Curated by
ChEMBL
Ligand
BDBM4374
((2E)-3-(4-hydroxyphenyl)prop-2-enoic acid | (2E)-3...)
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Affinity Data
Ki: 5.23E+3nM
Assay Description:
Inhibition of human CA7 by stopped-flow CO2 hydration assay
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Target
Carbonic anhydrase 9
(Homo sapiens (Human))
Universit£
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ChEMBL
Ligand
BDBM4374
((2E)-3-(4-hydroxyphenyl)prop-2-enoic acid | (2E)-3...)
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Affinity Data
Ki: 5.33E+3nM
Assay Description:
Inhibition of human CA9 by stopped-flow CO2 hydration assay
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Target
Carbonic anhydrase 5A, mitochondrial
(Homo sapiens (Human))
Universit£
Curated by
ChEMBL
Ligand
BDBM4374
((2E)-3-(4-hydroxyphenyl)prop-2-enoic acid | (2E)-3...)
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Affinity Data
Ki: 5.96E+3nM
Assay Description:
Inhibition of human CA5A by stopped-flow CO2 hydration assay
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Target
Carbonic anhydrase 14
(Homo sapiens (Human))
Universit£
Curated by
ChEMBL
Ligand
BDBM4374
((2E)-3-(4-hydroxyphenyl)prop-2-enoic acid | (2E)-3...)
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Affinity Data
Ki: 6.68E+3nM
Assay Description:
Inhibition of human CA14 by stopped-flow CO2 hydration assay
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Target
Carbonic anhydrase 14
(Homo sapiens (Human))
Universit£
Curated by
ChEMBL
Ligand
BDBM4374
((2E)-3-(4-hydroxyphenyl)prop-2-enoic acid | (2E)-3...)
Copy SMILES
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Affinity Data
Ki: 6.68E+3nM
Assay Description:
Inhibition of human carbonic anhydrase 14 preincubated for 15 mins by stopped-flow CO2 hydration assay
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Target
Carbonic anhydrase 6
(Homo sapiens (Human))
Universit£
Curated by
ChEMBL
Ligand
BDBM4374
((2E)-3-(4-hydroxyphenyl)prop-2-enoic acid | (2E)-3...)
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Affinity Data
Ki: 6.72E+3nM
Assay Description:
Inhibition of human CA6 by stopped-flow CO2 hydration assay
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Carbonic anhydrase 3
(Homo sapiens (Human))
Universit£
Curated by
ChEMBL
Ligand
BDBM4374
((2E)-3-(4-hydroxyphenyl)prop-2-enoic acid | (2E)-3...)
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Affinity Data
Ki: 7.57E+3nM
Assay Description:
Inhibition of human CA3 by stopped-flow CO2 hydration assay
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Target
Carbonic anhydrase 5B, mitochondrial
(Homo sapiens (Human))
Universit£
Curated by
ChEMBL
Ligand
BDBM4374
((2E)-3-(4-hydroxyphenyl)prop-2-enoic acid | (2E)-3...)
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Affinity Data
Ki: 7.76E+3nM
Assay Description:
Inhibition of human CA5B by stopped-flow CO2 hydration assay
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Target
Carbonic anhydrase 12
(Homo sapiens (Human))
Universit£
Curated by
ChEMBL
Ligand
BDBM4374
((2E)-3-(4-hydroxyphenyl)prop-2-enoic acid | (2E)-3...)
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Affinity Data
Ki: 8.01E+3nM
Assay Description:
Inhibition of human CA12 by stopped-flow CO2 hydration assay
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Target
Carbonic anhydrase 12
(Homo sapiens (Human))
Universit£
Curated by
ChEMBL
Ligand
BDBM4374
((2E)-3-(4-hydroxyphenyl)prop-2-enoic acid | (2E)-3...)
Copy SMILES
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Affinity Data
Ki: 8.01E+3nM
Assay Description:
Inhibition of human catalytic domain of carbonic anhydrase 12 preincubated for 15 mins by stopped-flow CO2 hydration assay
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Target
Carbonic anhydrase 4
(Homo sapiens (Human))
Universit£
Curated by
ChEMBL
Ligand
BDBM4374
((2E)-3-(4-hydroxyphenyl)prop-2-enoic acid | (2E)-3...)
Copy SMILES
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Affinity Data
Ki: 9.60E+3nM
Assay Description:
Inhibition of human CA4 by stopped-flow CO2 hydration assay
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Target
Carbonic anhydrase 13
(Mus musculus (mouse))
Universit£
Curated by
ChEMBL
Ligand
BDBM4374
((2E)-3-(4-hydroxyphenyl)prop-2-enoic acid | (2E)-3...)
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Affinity Data
Ki: 1.01E+4nM
Assay Description:
Inhibition of mouse carbonic anhydrase 13 preincubated for 15 mins by stopped-flow CO2 hydration assay
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Target
Carbonic anhydrase 13
(Mus musculus (mouse))
Universit£
Curated by
ChEMBL
Ligand
BDBM4374
((2E)-3-(4-hydroxyphenyl)prop-2-enoic acid | (2E)-3...)
Copy SMILES
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Affinity Data
Ki: 1.01E+4nM
Assay Description:
Inhibition of mouse CA13 by stopped-flow CO2 hydration assay
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Target
Hydroxycarboxylic acid receptor 2
(Homo sapiens (Human))
Leiden University
Curated by
ChEMBL
Ligand
BDBM4374
((2E)-3-(4-hydroxyphenyl)prop-2-enoic acid | (2E)-3...)
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Affinity Data
Ki: 1.40E+4nM
Assay Description:
Displacement of [3H]nicotinic acid from human GPR109a receptor expressed in human HEK293T cells by liquid scintillation counting
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Target
Calcium/calmodulin-dependent protein kinase type II subunit alpha
(Homo sapiens (Human))
University Of Copenhagen
Curated by
ChEMBL
Ligand
BDBM4374
((2E)-3-(4-hydroxyphenyl)prop-2-enoic acid | (2E)-3...)
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Affinity Data
Ki: >1.00E+5nM
Assay Description:
Inhibition of [3H]NCS-382 binding to CaMK2alpha (unknown origin)
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3D Structure (crystal)
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Target
Carbonic anhydrase 1
(Homo sapiens (Human))
Universit£
Curated by
ChEMBL
Ligand
BDBM4374
((2E)-3-(4-hydroxyphenyl)prop-2-enoic acid | (2E)-3...)
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Affinity Data
Ki: 4.41E+5nM ΔG°: -19.2kJ/mole
pH: 7.4 T: 2°C
Assay 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...
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Target
Carbonic anhydrase 2
(Homo sapiens (Human))
Universit£
Curated by
ChEMBL
Ligand
BDBM4374
((2E)-3-(4-hydroxyphenyl)prop-2-enoic acid | (2E)-3...)
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Affinity Data
Ki: 5.37E+5nM ΔG°: -18.7kJ/mole
pH: 7.4 T: 2°C
Assay 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...
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Target
Epidermal growth factor receptor
(Homo sapiens (Human))
Hebrew University of Jerusalem
Ligand
BDBM4374
((2E)-3-(4-hydroxyphenyl)prop-2-enoic acid | (2E)-3...)
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Affinity Data
Ki: 1.00E+6nM IC50: 3.00E+6nM
Assay Description:
The activity of EGFR, preactivated with EGF, is measured by its ability to transfer terminal phosphate from [gamma-32P]ATP to poly(GAT) substrate.
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Target
Aldo-keto reductase family 1 member B1
(Homo sapiens (Human))
TBA
Ligand
BDBM4374
((2E)-3-(4-hydroxyphenyl)prop-2-enoic acid | (2E)-3...)
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Affinity Data
IC50: 140nM
Assay Description:
Inhibition of aldose reductase (unknown origin)
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Target
Polyphenol oxidase 2
(Agaricus bisporus (Common mushroom))
TBA
Ligand
BDBM4374
((2E)-3-(4-hydroxyphenyl)prop-2-enoic acid | (2E)-3...)
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Affinity Data
IC50: 296nM
Assay Description:
Inhibition of mushroom tyrosinase using L-tyrosine as substrate preincubated for 15 mins followed by substrate addition measured after 30 mins by pla...
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Target
Tyrosinase
(Homo sapiens (Human))
Universit£
Curated by
ChEMBL
Ligand
BDBM4374
((2E)-3-(4-hydroxyphenyl)prop-2-enoic acid | (2E)-3...)
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Affinity Data
IC50: 2.00E+3nM
Assay Description:
Inhibition of human tyrosinase expressed in HEK293 cells
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Tyrosinase
(Homo sapiens (Human))
Universit£
Curated by
ChEMBL
Ligand
BDBM4374
((2E)-3-(4-hydroxyphenyl)prop-2-enoic acid | (2E)-3...)
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Affinity Data
IC50: 2.00E+3nM
Assay Description:
Inhibition of tyrosinase in neonatal human epidermal melanocytes
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Tyrosinase
(Homo sapiens (Human))
Universit£
Curated by
ChEMBL
Ligand
BDBM4374
((2E)-3-(4-hydroxyphenyl)prop-2-enoic acid | (2E)-3...)
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Affinity Data
IC50: 3.00E+3nM
Assay Description:
Inhibition of human tyrosinase after 120 mins
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Target
Tyrosinase
(Homo sapiens (Human))
Universit£
Curated by
ChEMBL
Ligand
BDBM4374
((2E)-3-(4-hydroxyphenyl)prop-2-enoic acid | (2E)-3...)
Copy SMILES
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Affinity Data
IC50: 3.00E+3nM
Assay Description:
Inhibition of human tyrosinase after 120 mins
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Target
Xanthine dehydrogenase/oxidase
(Bos taurus (Bovine))
Srtm University
Ligand
BDBM4374
((2E)-3-(4-hydroxyphenyl)prop-2-enoic acid | (2E)-3...)
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Affinity Data
IC50: 6.80E+3nM
pH: 7.6 T: 2°C
Assay Description:
Inhibition of xanthine oxidase (XO) by each isolated phenolics was measured by following the decrease in the uric acid formation at 293nm at 25°...
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Target
Aldo-keto reductase family 1 member B10
(Homo sapiens (Human))
Gifu Pharmaceutical University
Curated by
ChEMBL
Ligand
BDBM4374
((2E)-3-(4-hydroxyphenyl)prop-2-enoic acid | (2E)-3...)
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Affinity Data
IC50: 6.30E+4nM
Assay Description:
Inhibition of human recombinant N-terminus His6-tagged AKR1B10 expressed in Escherichia coli BL21 DE3 assessed as pyridine-3-aldehyde reduction by sp...
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Aldo-keto reductase family 1 member B1
(Homo sapiens (Human))
TBA
Ligand
BDBM4374
((2E)-3-(4-hydroxyphenyl)prop-2-enoic acid | (2E)-3...)
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Affinity Data
IC50: 7.60E+4nM
Assay Description:
Inhibition of human recombinant N-terminus His6-tagged AKR1B1 expressed in Escherichia coli BL21 DE3 assessed as pyridine-3-aldehyde reduction by spe...
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Alpha-glucosidase MAL12
(Saccharomyces cerevisiae)
Srtm University
Ligand
BDBM4374
((2E)-3-(4-hydroxyphenyl)prop-2-enoic acid | (2E)-3...)
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Affinity Data
IC50: 9.08E+4nM
Assay Description:
The assay was performed using isolated phenolics from maize, and inhibition was determined according to previously described method.
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Polyphenol oxidase 2
(Agaricus bisporus (Common mushroom))
TBA
Ligand
BDBM4374
((2E)-3-(4-hydroxyphenyl)prop-2-enoic acid | (2E)-3...)
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IC50: 1.21E+5nM
Assay Description:
Inhibition of mushroom tyrosinase after 25 mins by spectrophotometry
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Tyrosine-protein phosphatase non-receptor type 1 [1-321]
(Homo sapiens (Human))
Chulalongkorn University
Ligand
BDBM4374
((2E)-3-(4-hydroxyphenyl)prop-2-enoic acid | (2E)-3...)
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Affinity Data
IC50: 1.68E+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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Alpha-glucosidase MAL62
(Saccharomyces cerevisiae)
TBA
Ligand
BDBM4374
((2E)-3-(4-hydroxyphenyl)prop-2-enoic acid | (2E)-3...)
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Affinity Data
IC50: >3.00E+5nM
Assay Description:
Inhibition of yeast alpha-glucosidase using p-nitrophenyl-alpha-D-glucopyranoside as substrate preincubated for 10 min before substrate addition and ...
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Alpha-glucosidase MAL62
(Saccharomyces cerevisiae)
TBA
Ligand
BDBM4374
((2E)-3-(4-hydroxyphenyl)prop-2-enoic acid | (2E)-3...)
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Affinity Data
IC50: 2.00E+11nM
Assay Description:
Inhibition of baker's yeast alpha-glucosidase using p-nitrophenyl-alpha-D-glucopyranoside as substrate by spectrophotometry
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Target
Estrogen receptor beta
(Homo sapiens (Human))
East China University Of Science And Technology
Curated by
ChEMBL
Ligand
BDBM4374
((2E)-3-(4-hydroxyphenyl)prop-2-enoic acid | (2E)-3...)
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Affinity Data
EC50: 4.89E+3nM
Assay Description:
Agonist activity at human estrogen receptor-beta by yeast two-hybrid assay in presence of SRC1
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Estrogen receptor
(Homo sapiens (Human))
East China University Of Science And Technology
Curated by
ChEMBL
Ligand
BDBM4374
((2E)-3-(4-hydroxyphenyl)prop-2-enoic acid | (2E)-3...)
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Affinity Data
EC50: 1.61E+4nM
Assay Description:
Agonist activity at human estrogen receptor-alpha by yeast two-hybrid assay in presence of SRC1
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