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BDBM50146453 (E)-3-(4-Methoxy-phenyl)-acrylic acid::3-(4-methoxyphenyl)acrylic acid::4-Methoxycinnamic acid::CHEMBL95770::para-methoxycinnamic acid

SMILES: COc1ccc(\C=C\C(O)=O)cc1

InChI Key: InChIKey=AFDXODALSZRGIH-QPJJXVBHSA-N

Data: 10 IC50

PDB links: 2 PDB IDs match this monomer.

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 10 hits for monomerid = 50146453   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Tyrosinase


(Agaricus bisporus (Common mushroom))
BDBM50146453
PNG
((E)-3-(4-Methoxy-phenyl)-acrylic acid | 3-(4-metho...)
Show SMILES COc1ccc(\C=C\C(O)=O)cc1
Show InChI InChI=1S/C10H10O3/c1-13-9-5-2-8(3-6-9)4-7-10(11)12/h2-7H,1H3,(H,11,12)/b7-4+
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n/an/a 4.10E+5n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase


Eur J Med Chem 44: 1773-8 (2009)


Article DOI: 10.1016/j.ejmech.2008.04.002
BindingDB Entry DOI: 10.7270/Q2DB81M9
More data for this
Ligand-Target Pair
Tyrosinase


(Agaricus bisporus (Common mushroom))
BDBM50146453
PNG
((E)-3-(4-Methoxy-phenyl)-acrylic acid | 3-(4-metho...)
Show SMILES COc1ccc(\C=C\C(O)=O)cc1
Show InChI InChI=1S/C10H10O3/c1-13-9-5-2-8(3-6-9)4-7-10(11)12/h2-7H,1H3,(H,11,12)/b7-4+
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n/an/a 4.10E+5n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase assessed as 3,4-dihydroxy-L-phenylalanine oxidation


Bioorg Med Chem Lett 18: 6490-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.056
BindingDB Entry DOI: 10.7270/Q2959HFK
More data for this
Ligand-Target Pair
Tyrosinase


(Agaricus bisporus (Common mushroom))
BDBM50146453
PNG
((E)-3-(4-Methoxy-phenyl)-acrylic acid | 3-(4-metho...)
Show SMILES COc1ccc(\C=C\C(O)=O)cc1
Show InChI InChI=1S/C10H10O3/c1-13-9-5-2-8(3-6-9)4-7-10(11)12/h2-7H,1H3,(H,11,12)/b7-4+
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n/an/a 4.10E+5n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase


Eur J Med Chem 44: 4235-43 (2009)


Article DOI: 10.1016/j.ejmech.2009.05.023
BindingDB Entry DOI: 10.7270/Q2PC32DZ
More data for this
Ligand-Target Pair
Tyrosinase


(Agaricus bisporus (Common mushroom))
BDBM50146453
PNG
((E)-3-(4-Methoxy-phenyl)-acrylic acid | 3-(4-metho...)
Show SMILES COc1ccc(\C=C\C(O)=O)cc1
Show InChI InChI=1S/C10H10O3/c1-13-9-5-2-8(3-6-9)4-7-10(11)12/h2-7H,1H3,(H,11,12)/b7-4+
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n/an/a>3.50E+5n/an/an/an/an/an/a



Kinki University

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase after 25 mins by spectrophotometry


Bioorg Med Chem Lett 21: 1983-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.028
BindingDB Entry DOI: 10.7270/Q2T43TCF
More data for this
Ligand-Target Pair
Alpha-glucosidase MAL62


(Saccharomyces cerevisiae)
BDBM50146453
PNG
((E)-3-(4-Methoxy-phenyl)-acrylic acid | 3-(4-metho...)
Show SMILES COc1ccc(\C=C\C(O)=O)cc1
Show InChI InChI=1S/C10H10O3/c1-13-9-5-2-8(3-6-9)4-7-10(11)12/h2-7H,1H3,(H,11,12)/b7-4+
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n/an/a 4.00E+10n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of baker's yeast alpha-glucosidase using p-nitrophenyl-alpha-D-glucopyranoside as substrate by spectrophotometry


Citation and Details

Article DOI: 10.1007/s00044-011-9938-0
BindingDB Entry DOI: 10.7270/Q29W0JBG
More data for this
Ligand-Target Pair
Tyrosinase


(Agaricus bisporus (Common mushroom))
BDBM50146453
PNG
((E)-3-(4-Methoxy-phenyl)-acrylic acid | 3-(4-metho...)
Show SMILES COc1ccc(\C=C\C(O)=O)cc1
Show InChI InChI=1S/C10H10O3/c1-13-9-5-2-8(3-6-9)4-7-10(11)12/h2-7H,1H3,(H,11,12)/b7-4+
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n/an/a 4.10E+5n/an/an/an/an/an/a



Sun Yat-Sen University

Curated by ChEMBL


Assay Description
Inhibition of mashroom tyrosinase assessed as oxidation of L-DOPA by spectrophotometry


Eur J Med Chem 45: 639-46 (2010)


Article DOI: 10.1016/j.ejmech.2009.11.007
BindingDB Entry DOI: 10.7270/Q2348M9F
More data for this
Ligand-Target Pair
Tyrosinase


(Agaricus bisporus (Common mushroom))
BDBM50146453
PNG
((E)-3-(4-Methoxy-phenyl)-acrylic acid | 3-(4-metho...)
Show SMILES COc1ccc(\C=C\C(O)=O)cc1
Show InChI InChI=1S/C10H10O3/c1-13-9-5-2-8(3-6-9)4-7-10(11)12/h2-7H,1H3,(H,11,12)/b7-4+
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n/an/a 4.10E+5n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase


Bioorg Med Chem 16: 1096-102 (2008)


BindingDB Entry DOI: 10.7270/Q2RF5VWT
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50146453
PNG
((E)-3-(4-Methoxy-phenyl)-acrylic acid | 3-(4-metho...)
Show SMILES COc1ccc(\C=C\C(O)=O)cc1
Show InChI InChI=1S/C10H10O3/c1-13-9-5-2-8(3-6-9)4-7-10(11)12/h2-7H,1H3,(H,11,12)/b7-4+
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n/an/a 7.60E+5n/an/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Binding affinity towards HSV-1 thymidine kinase


Eur J Med Chem 132: 1-10 (2017)


Article DOI: 10.1016/j.ejmech.2017.03.023
BindingDB Entry DOI: 10.7270/Q2WS8WNX
More data for this
Ligand-Target Pair
Carbonic anhydrases; II & IX


(Homo sapiens (Human))
BDBM50146453
PNG
((E)-3-(4-Methoxy-phenyl)-acrylic acid | 3-(4-metho...)
Show SMILES COc1ccc(\C=C\C(O)=O)cc1
Show InChI InChI=1S/C10H10O3/c1-13-9-5-2-8(3-6-9)4-7-10(11)12/h2-7H,1H3,(H,11,12)/b7-4+
PDB
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NCI pathway
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n/an/a 8.50E+5n/an/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Binding affinity towards HSV-1 thymidine kinase


Eur J Med Chem 132: 1-10 (2017)


Article DOI: 10.1016/j.ejmech.2017.03.023
BindingDB Entry DOI: 10.7270/Q2WS8WNX
More data for this
Ligand-Target Pair
Tyrosinase


(Agaricus bisporus (Common mushroom))
BDBM50146453
PNG
((E)-3-(4-Methoxy-phenyl)-acrylic acid | 3-(4-metho...)
Show SMILES COc1ccc(\C=C\C(O)=O)cc1
Show InChI InChI=1S/C10H10O3/c1-13-9-5-2-8(3-6-9)4-7-10(11)12/h2-7H,1H3,(H,11,12)/b7-4+
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n/an/a 4.10E+5n/an/an/an/an/an/a



Shaoyang University

Curated by ChEMBL


Assay Description
Inhibition of diphenolase activity of mushroom tyrosinase preincubated with compound for 10 mins before addition of L-DOPA as substrate by spectropho...


Bioorg Med Chem Lett 21: 2376-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.076
BindingDB Entry DOI: 10.7270/Q2SF2WG1
More data for this
Ligand-Target Pair