BDBM50214744 (2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid::(2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid (10)::CHEMBL32749::Ferulic acid (M5)::ferulic acid

SMILES COc1cc(\C=C\C(O)=O)ccc1O

InChI Key InChIKey=KSEBMYQBYZTDHS-HWKANZROSA-N

Data  20 KI  21 IC50

PDB links: 28 PDB IDs match this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 41 hits for monomerid = 50214744   

TargetSiderophore-binding protein(Mycobacterium tuberculosis)
Universit?? Degli Studi Di Firenze

LigandPNGBDBM50214744((2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic aci...)
Affinity DataKi:  360nM ΔG°:  -8.78kcal/molepH: 7.5 T: 2°CAssay Description:An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity [Khalifah et al., J. Biol. Chem., ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 2(Homo sapiens (Human))
Universit£

Curated by ChEMBL
LigandPNGBDBM50214744((2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic aci...)
Affinity DataKi:  2.40E+3nMAssay Description:Inhibition of human CA2 by stopped-flow CO2 hydration assayMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 1(Homo sapiens (Human))
Universit£

Curated by ChEMBL
LigandPNGBDBM50214744((2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic aci...)
Affinity DataKi:  2.89E+3nMAssay Description:Inhibition of human CA1 by stopped-flow CO2 hydration assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 2(Mycobacterium tuberculosis)
Universit?? Degli Studi Di Firenze

LigandPNGBDBM50214744((2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic aci...)
Affinity DataKi:  3.50E+3nM ΔG°:  -7.44kcal/molepH: 7.5 T: 2°CAssay Description:An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity [Khalifah et al., J. Biol. Chem., ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 5A, mitochondrial(Homo sapiens (Human))
Universit£

Curated by ChEMBL
LigandPNGBDBM50214744((2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic aci...)
Affinity DataKi:  7.04E+3nMAssay Description:Inhibition of human CA5A by stopped-flow CO2 hydration assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBeta-carbonic anhydrase 1(Mycobacterium tuberculosis)
Universit?? Degli Studi Di Firenze

LigandPNGBDBM50214744((2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic aci...)
Affinity DataKi:  7.13E+3nM ΔG°:  -7.02kcal/molepH: 7.5 T: 2°CAssay Description:An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity [Khalifah et al., J. Biol. Chem., ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 7(Homo sapiens (Human))
Universit£

Curated by ChEMBL
LigandPNGBDBM50214744((2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic aci...)
Affinity DataKi:  7.41E+3nMAssay Description:Inhibition of human CA7 by stopped-flow CO2 hydration assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 6(Homo sapiens (Human))
Universit£

Curated by ChEMBL
LigandPNGBDBM50214744((2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic aci...)
Affinity DataKi:  8.45E+3nMAssay Description:Inhibition of human CA6 by stopped-flow CO2 hydration assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 14(Homo sapiens (Human))
Universit£

Curated by ChEMBL
LigandPNGBDBM50214744((2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic aci...)
Affinity DataKi:  9.43E+3nMAssay Description:Inhibition of human CA14 by stopped-flow CO2 hydration assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 14(Homo sapiens (Human))
Universit£

Curated by ChEMBL
LigandPNGBDBM50214744((2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic aci...)
Affinity DataKi:  9.43E+3nMAssay Description:Inhibition of human carbonic anhydrase 14 preincubated for 15 mins by stopped-flow CO2 hydration assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 12(Homo sapiens (Human))
Universit£

Curated by ChEMBL
LigandPNGBDBM50214744((2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic aci...)
Affinity DataKi:  9.78E+3nMAssay Description:Inhibition of human catalytic domain of carbonic anhydrase 12 preincubated for 15 mins by stopped-flow CO2 hydration assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 12(Homo sapiens (Human))
Universit£

Curated by ChEMBL
LigandPNGBDBM50214744((2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic aci...)
Affinity DataKi:  9.78E+3nMAssay Description:Inhibition of human CA12 by stopped-flow CO2 hydration assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 9(Homo sapiens (Human))
Universit£

Curated by ChEMBL
LigandPNGBDBM50214744((2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic aci...)
Affinity DataKi:  9.87E+3nMAssay Description:Inhibition of human CA9 by stopped-flow CO2 hydration assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 5B, mitochondrial(Homo sapiens (Human))
Universit£

Curated by ChEMBL
LigandPNGBDBM50214744((2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic aci...)
Affinity DataKi:  1.05E+4nMAssay Description:Inhibition of human CA5B by stopped-flow CO2 hydration assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 4(Homo sapiens (Human))
Universit£

Curated by ChEMBL
LigandPNGBDBM50214744((2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic aci...)
Affinity DataKi:  1.08E+4nMAssay Description:Inhibition of human CA4 by stopped-flow CO2 hydration assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 3(Homo sapiens (Human))
Universit£

Curated by ChEMBL
LigandPNGBDBM50214744((2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic aci...)
Affinity DataKi:  1.11E+4nMAssay Description:Inhibition of human CA3 by stopped-flow CO2 hydration assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 13(Mus musculus (mouse))
Universit£

Curated by ChEMBL
LigandPNGBDBM50214744((2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic aci...)
Affinity DataKi:  1.22E+4nMAssay Description:Inhibition of mouse carbonic anhydrase 13 preincubated for 15 mins by stopped-flow CO2 hydration assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 13(Mus musculus (mouse))
Universit£

Curated by ChEMBL
LigandPNGBDBM50214744((2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic aci...)
Affinity DataKi:  1.22E+4nMAssay Description:Inhibition of mouse CA13 by stopped-flow CO2 hydration assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 2(Homo sapiens (Human))
Universit£

Curated by ChEMBL
LigandPNGBDBM50214744((2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic aci...)
Affinity DataKi:  2.10E+5nM ΔG°:  -5.01kcal/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
TargetCarbonic anhydrase 1(Homo sapiens (Human))
Universit£

Curated by ChEMBL
LigandPNGBDBM50214744((2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic aci...)
Affinity DataKi:  4.08E+5nM ΔG°:  -4.62kcal/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
In DepthDetails ArticlePubMed
TargetAcetylcholinesterase(Electrophorus electricus (Electric eel))
Guangzhou Institute Of Biomedicine And Health

Curated by ChEMBL
LigandPNGBDBM50214744((2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic aci...)
Affinity DataIC50: >1.00E+5nMAssay Description:Inhibition of electric eel AChE using acetylcholine chloride as substrate preincubated for 15 mins by Ellman's methodMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAcetylcholinesterase(Electrophorus electricus (Electric eel))
Guangzhou Institute Of Biomedicine And Health

Curated by ChEMBL
LigandPNGBDBM50214744((2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic aci...)
Affinity DataIC50: >1.00E+5nMAssay Description:Inhibition of Electrophorus electricus AChE pre-incubated for 15 mins before acetylthiocholine chloride substrate addition by Ellman assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAlpha-glucosidase MAL12(Saccharomyces cerevisiae)
Srtm University

LigandPNGBDBM50214744((2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic aci...)
Affinity DataIC50:  2.51E+5nMAssay Description:The assay was performed using isolated phenolics from maize, and inhibition was determined according to previously described method.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetXanthine dehydrogenase/oxidase(Bos taurus (Bovine))
Srtm University

LigandPNGBDBM50214744((2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic aci...)
Affinity DataIC50:  8.20E+3nMpH: 7.6 T: 2°CAssay 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°...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPyruvate kinase PKM(Homo sapiens (Human))
Central University Of Punjab

Curated by ChEMBL
LigandPNGBDBM50214744((2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic aci...)
Affinity DataIC50:  1.14E+4nMAssay Description:Inhibition of PKM2 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails PubMed
TargetAmyloid-beta precursor protein(Homo sapiens (Human))
Alma Mater Studiorum-University Of Bologna

Curated by ChEMBL
LigandPNGBDBM50214744((2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic aci...)
Affinity DataIC50: >1.00E+5nMAssay Description:Inhibition of self-induced amyloid beta (1 to 42) (unknown origin) aggregation by thioflavin T-based fluorometric assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDihydroorotate dehydrogenase (fumarate)(Leishmania major)
University Of S£O Paulo

Curated by ChEMBL
LigandPNGBDBM50214744((2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic aci...)
Affinity DataIC50:  3.98E+5nMAssay Description:Inhibition of recombinant oligo-histidine-tagged Leishmania major DHODH expressed in Escherichia coli BL21(DE3) cells using DHO as substrate measured...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDihydroorotate dehydrogenase (fumarate)(Leishmania major)
University Of S£O Paulo

Curated by ChEMBL
LigandPNGBDBM50214744((2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic aci...)
Affinity DataIC50:  4.13E+5nMAssay Description:Inhibition of recombinant oligo-histidine-tagged Leishmania major DHODH expressed in Escherichia coli BL21(DE3) cells using DHO as substrate measured...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAlpha-glucosidase MAL62(Saccharomyces cerevisiae)TBA
LigandPNGBDBM50214744((2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic aci...)
Affinity DataIC50: >3.00E+5nMAssay Description:Inhibition of yeast alpha-glucosidase using p-nitrophenyl-alpha-D-glucopyranoside as substrate preincubated for 10 min before substrate addition and ...More data for this Ligand-Target Pair
In DepthDetails Article
TargetIntegrase(Human immunodeficiency virus 1)
Zhejiang University

Curated by ChEMBL
LigandPNGBDBM50214744((2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic aci...)
Affinity DataIC50: >1.00E+5nMAssay Description:Inhibition of HIV1 integrase by ELISAMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 2(Homo sapiens (Human))
Universit£

Curated by ChEMBL
LigandPNGBDBM50214744((2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic aci...)
Affinity DataIC50:  6.44E+3nMAssay Description:Inhibition of human carbonic anhydrase 2 using p-nitrophenyl acetate as substrate by UV-VIS spectrophotometric analysisMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 9(Homo sapiens (Human))
Universit£

Curated by ChEMBL
LigandPNGBDBM50214744((2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic aci...)
Affinity DataIC50:  9.39E+3nMAssay Description:Inhibition of human carbonic anhydrase 9 using p-nitrophenyl acetate as substrate by UV-VIS spectrophotometric analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 5A, mitochondrial(Homo sapiens (Human))
Universit£

Curated by ChEMBL
LigandPNGBDBM50214744((2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic aci...)
Affinity DataIC50:  8.86E+3nMAssay Description:Inhibition of human carbonic anhydrase 5A using p-nitrophenyl acetate as substrate by UV-VIS spectrophotometric analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCholinesterase(Homo sapiens (Human))
Nanyang Normal University

Curated by ChEMBL
LigandPNGBDBM50214744((2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic aci...)
Affinity DataIC50: >1.00E+5nMAssay Description:Inhibition of human serum BuChE using acetylcholine iodide as substrate incubated for 15 mins by Ellman's methodMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAcetylcholinesterase(Homo sapiens (Human))
Nanyang Normal University

Curated by ChEMBL
LigandPNGBDBM50214744((2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic aci...)
Affinity DataIC50: >1.00E+5nMAssay Description:Inhibition of human erythrocytes AChE using acetylcholine iodide as substrate incubated for 15 mins by Ellman's methodMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAlpha-synuclein(Homo sapiens (Human))
Universit£

Curated by ChEMBL
LigandPNGBDBM50214744((2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic aci...)
Affinity DataIC50:  750nMAssay Description:Inhibition of alpha-synuclein fibril formation (unknown origin) incubated for 24 hrs to 7 days by thioflavin S based fluorescence assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCholinesterase(Equus caballus (Horse))
Nanyang Normal University

Curated by ChEMBL
LigandPNGBDBM50214744((2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic aci...)
Affinity DataIC50: >1.00E+5nMAssay Description:Inhibition of equine serum BuChE using BTC as substrate after 15 mins by Ellman's methodMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAcetylcholinesterase(Electrophorus electricus (Electric eel))
Guangzhou Institute Of Biomedicine And Health

Curated by ChEMBL
LigandPNGBDBM50214744((2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic aci...)
Affinity DataIC50: >1.00E+5nMAssay Description:Inhibition of Electrophorus electricus AChE using acetylcholine iodide as substrate incubated for 15 mins by Ellman's methodMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAmyloid-beta precursor protein(Homo sapiens (Human))
Alma Mater Studiorum-University Of Bologna

Curated by ChEMBL
LigandPNGBDBM50214744((2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic aci...)
Affinity DataIC50:  2.26E+5nMAssay Description:Inhibition of human biotinylated amyloid beta (1 to 42) oligomerization assessed as decrease in oligomer abundance measured after 1 hr by ELISAMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPolyphenol oxidase 2(Agaricus bisporus (Common mushroom))
Kinki University

Curated by ChEMBL
LigandPNGBDBM50214744((2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic aci...)
Affinity DataIC50: >3.50E+5nMAssay Description:Inhibition of mushroom tyrosinase after 25 mins by spectrophotometryMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetHyaluronidase-1(Homo sapiens (Human))
University Of Shizuoka

Curated by ChEMBL
LigandPNGBDBM50214744((2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic aci...)
Affinity DataIC50: >2.00E+6nMAssay Description:Inhibition of hyaluronidaseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed