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BDBM50146462 (2E)-3-(2-hydroxyphenyl)-2-propenoic acid::(2E)-3-(2-hydroxyphenyl)prop-2-enoic acid::(2E)-3-(2-hydroxyphenyl)prop-2-enoic acid (7)::(E)-2-hydroxycinnamic acid::(E)-3-(2-hydroxyphenyl)-2-propenoic acid::(E)-o-hydroxycinnamic acid::CHEMBL52564::o-Hydroxycinnamic acid (o-HCA)::o-hydroxy-trans-cinnamic acid::trans-2-coumaric acid::trans-o-hydroxycinnamic acid

SMILES: OC(=O)\C=C\c1ccccc1O

InChI Key: InChIKey=PMOWTIHVNWZYFI-AATRIKPKSA-N

Data: 23 KI  3 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 26 hits for monomerid = 50146462   
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
β-Carbonic anhydrase 3 (CA 3)


(Mycobacterium tuberculosis)
BDBM50146462
PNG
((2E)-3-(2-hydroxyphenyl)-2-propenoic acid | (2E)-3...)
Show SMILES OC(=O)\C=C\c1ccccc1O
Show InChI InChI=1S/C9H8O3/c10-8-4-2-1-3-7(8)5-6-9(11)12/h1-6,10H,(H,11,12)/b6-5+
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120 -9.43n/an/an/an/an/a7.525



UniversitÓ degli Studi di Firenze



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., ...


J Enzyme Inhib Med Chem 28: 392-6 (2013)


Article DOI: 10.3109/14756366.2011.650168
BindingDB Entry DOI: 10.7270/Q2RF5SZW
More data for this
Ligand-Target Pair
Carbonic Anhydrase (mtCA 1)


(Mycobacterium tuberculosis)
BDBM50146462
PNG
((2E)-3-(2-hydroxyphenyl)-2-propenoic acid | (2E)-3...)
Show SMILES OC(=O)\C=C\c1ccccc1O
Show InChI InChI=1S/C9H8O3/c10-8-4-2-1-3-7(8)5-6-9(11)12/h1-6,10H,(H,11,12)/b6-5+
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2.25E+3 -7.70n/an/an/an/an/a7.525



UniversitÓ degli Studi di Firenze



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., ...


J Enzyme Inhib Med Chem 28: 392-6 (2013)


Article DOI: 10.3109/14756366.2011.650168
BindingDB Entry DOI: 10.7270/Q2RF5SZW
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50146462
PNG
((2E)-3-(2-hydroxyphenyl)-2-propenoic acid | (2E)-3...)
Show SMILES OC(=O)\C=C\c1ccccc1O
Show InChI InChI=1S/C9H8O3/c10-8-4-2-1-3-7(8)5-6-9(11)12/h1-6,10H,(H,11,12)/b6-5+
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3.10E+3n/an/an/an/an/an/an/an/a



University of Calgary

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 preincubated for 15 mins by CO2 hydration stopped-flow assay


Bioorg Med Chem 19: 1381-9 (2011)


Article DOI: 10.1016/j.bmc.2011.01.016
BindingDB Entry DOI: 10.7270/Q2KS6RVD
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50146462
PNG
((2E)-3-(2-hydroxyphenyl)-2-propenoic acid | (2E)-3...)
Show SMILES OC(=O)\C=C\c1ccccc1O
Show InChI InChI=1S/C9H8O3/c10-8-4-2-1-3-7(8)5-6-9(11)12/h1-6,10H,(H,11,12)/b6-5+
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3.10E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 after 15 mins by stopped flow CO2 hydration method


Bioorg Med Chem Lett 20: 5050-3 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.038
BindingDB Entry DOI: 10.7270/Q2HM59FX
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50146462
PNG
((2E)-3-(2-hydroxyphenyl)-2-propenoic acid | (2E)-3...)
Show SMILES OC(=O)\C=C\c1ccccc1O
Show InChI InChI=1S/C9H8O3/c10-8-4-2-1-3-7(8)5-6-9(11)12/h1-6,10H,(H,11,12)/b6-5+
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3.40E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


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


Bioorg Med Chem Lett 22: 267-70 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.018
BindingDB Entry DOI: 10.7270/Q22Z15ZW
More data for this
Ligand-Target Pair
β-Carbonic anhydrase 2 (CA 2)


(Mycobacterium tuberculosis)
BDBM50146462
PNG
((2E)-3-(2-hydroxyphenyl)-2-propenoic acid | (2E)-3...)
Show SMILES OC(=O)\C=C\c1ccccc1O
Show InChI InChI=1S/C9H8O3/c10-8-4-2-1-3-7(8)5-6-9(11)12/h1-6,10H,(H,11,12)/b6-5+
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4.17E+3 -7.33n/an/an/an/an/a7.525



UniversitÓ degli Studi di Firenze



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., ...


J Enzyme Inhib Med Chem 28: 392-6 (2013)


Article DOI: 10.3109/14756366.2011.650168
BindingDB Entry DOI: 10.7270/Q2RF5SZW
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50146462
PNG
((2E)-3-(2-hydroxyphenyl)-2-propenoic acid | (2E)-3...)
Show SMILES OC(=O)\C=C\c1ccccc1O
Show InChI InChI=1S/C9H8O3/c10-8-4-2-1-3-7(8)5-6-9(11)12/h1-6,10H,(H,11,12)/b6-5+
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9.20E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 after 15 mins by stopped flow CO2 hydration method


Bioorg Med Chem Lett 20: 5050-3 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.038
BindingDB Entry DOI: 10.7270/Q2HM59FX
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50146462
PNG
((2E)-3-(2-hydroxyphenyl)-2-propenoic acid | (2E)-3...)
Show SMILES OC(=O)\C=C\c1ccccc1O
Show InChI InChI=1S/C9H8O3/c10-8-4-2-1-3-7(8)5-6-9(11)12/h1-6,10H,(H,11,12)/b6-5+
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9.20E+3n/an/an/an/an/an/an/an/a



University of Calgary

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 preincubated for 15 mins by CO2 hydration stopped-flow assay


Bioorg Med Chem 19: 1381-9 (2011)


Article DOI: 10.1016/j.bmc.2011.01.016
BindingDB Entry DOI: 10.7270/Q2KS6RVD
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50146462
PNG
((2E)-3-(2-hydroxyphenyl)-2-propenoic acid | (2E)-3...)
Show SMILES OC(=O)\C=C\c1ccccc1O
Show InChI InChI=1S/C9H8O3/c10-8-4-2-1-3-7(8)5-6-9(11)12/h1-6,10H,(H,11,12)/b6-5+
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9.30E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


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


Bioorg Med Chem Lett 22: 267-70 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.018
BindingDB Entry DOI: 10.7270/Q22Z15ZW
More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Homo sapiens (Human))
BDBM50146462
PNG
((2E)-3-(2-hydroxyphenyl)-2-propenoic acid | (2E)-3...)
Show SMILES OC(=O)\C=C\c1ccccc1O
Show InChI InChI=1S/C9H8O3/c10-8-4-2-1-3-7(8)5-6-9(11)12/h1-6,10H,(H,11,12)/b6-5+
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6.23E+4n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 4 after 15 mins by stopped flow CO2 hydration method


Bioorg Med Chem Lett 20: 5050-3 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.038
BindingDB Entry DOI: 10.7270/Q2HM59FX
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50146462
PNG
((2E)-3-(2-hydroxyphenyl)-2-propenoic acid | (2E)-3...)
Show SMILES OC(=O)\C=C\c1ccccc1O
Show InChI InChI=1S/C9H8O3/c10-8-4-2-1-3-7(8)5-6-9(11)12/h1-6,10H,(H,11,12)/b6-5+
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>1.00E+5n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


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


Bioorg Med Chem Lett 22: 267-70 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.018
BindingDB Entry DOI: 10.7270/Q22Z15ZW
More data for this
Ligand-Target Pair
Carbonic Anhydrase VB


(Homo sapiens (Human))
BDBM50146462
PNG
((2E)-3-(2-hydroxyphenyl)-2-propenoic acid | (2E)-3...)
Show SMILES OC(=O)\C=C\c1ccccc1O
Show InChI InChI=1S/C9H8O3/c10-8-4-2-1-3-7(8)5-6-9(11)12/h1-6,10H,(H,11,12)/b6-5+
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5.78E+5n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 5b after 15 mins by stopped flow CO2 hydration method


Bioorg Med Chem Lett 20: 5050-3 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.038
BindingDB Entry DOI: 10.7270/Q2HM59FX
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50146462
PNG
((2E)-3-(2-hydroxyphenyl)-2-propenoic acid | (2E)-3...)
Show SMILES OC(=O)\C=C\c1ccccc1O
Show InChI InChI=1S/C9H8O3/c10-8-4-2-1-3-7(8)5-6-9(11)12/h1-6,10H,(H,11,12)/b6-5+
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>1.00E+6n/an/an/an/an/an/an/an/a



University of Calgary

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 12 preincubated for 15 mins by CO2 hydration stopped-flow assay


Bioorg Med Chem 19: 1381-9 (2011)


Article DOI: 10.1016/j.bmc.2011.01.016
BindingDB Entry DOI: 10.7270/Q2KS6RVD
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50146462
PNG
((2E)-3-(2-hydroxyphenyl)-2-propenoic acid | (2E)-3...)
Show SMILES OC(=O)\C=C\c1ccccc1O
Show InChI InChI=1S/C9H8O3/c10-8-4-2-1-3-7(8)5-6-9(11)12/h1-6,10H,(H,11,12)/b6-5+
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>1.00E+6n/an/an/an/an/an/an/an/a



University of Calgary

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 9 preincubated for 15 mins by CO2 hydration stopped-flow assay


Bioorg Med Chem 19: 1381-9 (2011)


Article DOI: 10.1016/j.bmc.2011.01.016
BindingDB Entry DOI: 10.7270/Q2KS6RVD
More data for this
Ligand-Target Pair
Carbonic anhydrase 15


(Mus musculus)
BDBM50146462
PNG
((2E)-3-(2-hydroxyphenyl)-2-propenoic acid | (2E)-3...)
Show SMILES OC(=O)\C=C\c1ccccc1O
Show InChI InChI=1S/C9H8O3/c10-8-4-2-1-3-7(8)5-6-9(11)12/h1-6,10H,(H,11,12)/b6-5+
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>1.00E+6n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of mouse carbonic anhydrase 15 after 15 mins by stopped flow CO2 hydration method


Bioorg Med Chem Lett 20: 5050-3 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.038
BindingDB Entry DOI: 10.7270/Q2HM59FX
More data for this
Ligand-Target Pair
Carbonic Anhydrase XIV


(Homo sapiens (Human))
BDBM50146462
PNG
((2E)-3-(2-hydroxyphenyl)-2-propenoic acid | (2E)-3...)
Show SMILES OC(=O)\C=C\c1ccccc1O
Show InChI InChI=1S/C9H8O3/c10-8-4-2-1-3-7(8)5-6-9(11)12/h1-6,10H,(H,11,12)/b6-5+
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>1.00E+6n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 14 after 15 mins by stopped flow CO2 hydration method


Bioorg Med Chem Lett 20: 5050-3 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.038
BindingDB Entry DOI: 10.7270/Q2HM59FX
More data for this
Ligand-Target Pair
Carbonic anhydrase 13 (CA XIII)


(Homo sapiens (Human))
BDBM50146462
PNG
((2E)-3-(2-hydroxyphenyl)-2-propenoic acid | (2E)-3...)
Show SMILES OC(=O)\C=C\c1ccccc1O
Show InChI InChI=1S/C9H8O3/c10-8-4-2-1-3-7(8)5-6-9(11)12/h1-6,10H,(H,11,12)/b6-5+
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>1.00E+6n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 13 after 15 mins by stopped flow CO2 hydration method


Bioorg Med Chem Lett 20: 5050-3 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.038
BindingDB Entry DOI: 10.7270/Q2HM59FX
More data for this
Ligand-Target Pair
Carbonic Anhydrase III


(Homo sapiens (Human))
BDBM50146462
PNG
((2E)-3-(2-hydroxyphenyl)-2-propenoic acid | (2E)-3...)
Show SMILES OC(=O)\C=C\c1ccccc1O
Show InChI InChI=1S/C9H8O3/c10-8-4-2-1-3-7(8)5-6-9(11)12/h1-6,10H,(H,11,12)/b6-5+
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>1.00E+6n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 3 after 15 mins by stopped flow CO2 hydration method


Bioorg Med Chem Lett 20: 5050-3 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.038
BindingDB Entry DOI: 10.7270/Q2HM59FX
More data for this
Ligand-Target Pair
Carbonic Anhydrase VA


(Homo sapiens (Human))
BDBM50146462
PNG
((2E)-3-(2-hydroxyphenyl)-2-propenoic acid | (2E)-3...)
Show SMILES OC(=O)\C=C\c1ccccc1O
Show InChI InChI=1S/C9H8O3/c10-8-4-2-1-3-7(8)5-6-9(11)12/h1-6,10H,(H,11,12)/b6-5+
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>1.00E+6n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 5a after 15 mins by stopped flow CO2 hydration method


Bioorg Med Chem Lett 20: 5050-3 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.038
BindingDB Entry DOI: 10.7270/Q2HM59FX
More data for this
Ligand-Target Pair
Carbonic anhydrase 6 (CA-VI)


(Homo sapiens (Human))
BDBM50146462
PNG
((2E)-3-(2-hydroxyphenyl)-2-propenoic acid | (2E)-3...)
Show SMILES OC(=O)\C=C\c1ccccc1O
Show InChI InChI=1S/C9H8O3/c10-8-4-2-1-3-7(8)5-6-9(11)12/h1-6,10H,(H,11,12)/b6-5+
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>1.00E+6n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 6 after 15 mins by stopped flow CO2 hydration method


Bioorg Med Chem Lett 20: 5050-3 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.038
BindingDB Entry DOI: 10.7270/Q2HM59FX
More data for this
Ligand-Target Pair
Carbonic anhydrase 7


(Homo sapiens (Human))
BDBM50146462
PNG
((2E)-3-(2-hydroxyphenyl)-2-propenoic acid | (2E)-3...)
Show SMILES OC(=O)\C=C\c1ccccc1O
Show InChI InChI=1S/C9H8O3/c10-8-4-2-1-3-7(8)5-6-9(11)12/h1-6,10H,(H,11,12)/b6-5+
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>1.00E+6n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 7 after 15 mins by stopped flow CO2 hydration method


Bioorg Med Chem Lett 20: 5050-3 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.038
BindingDB Entry DOI: 10.7270/Q2HM59FX
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50146462
PNG
((2E)-3-(2-hydroxyphenyl)-2-propenoic acid | (2E)-3...)
Show SMILES OC(=O)\C=C\c1ccccc1O
Show InChI InChI=1S/C9H8O3/c10-8-4-2-1-3-7(8)5-6-9(11)12/h1-6,10H,(H,11,12)/b6-5+
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>1.00E+6n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 9 after 15 mins by stopped flow CO2 hydration method


Bioorg Med Chem Lett 20: 5050-3 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.038
BindingDB Entry DOI: 10.7270/Q2HM59FX
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50146462
PNG
((2E)-3-(2-hydroxyphenyl)-2-propenoic acid | (2E)-3...)
Show SMILES OC(=O)\C=C\c1ccccc1O
Show InChI InChI=1S/C9H8O3/c10-8-4-2-1-3-7(8)5-6-9(11)12/h1-6,10H,(H,11,12)/b6-5+
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>1.00E+6n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 12 after 15 mins by stopped flow CO2 hydration method


Bioorg Med Chem Lett 20: 5050-3 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.038
BindingDB Entry DOI: 10.7270/Q2HM59FX
More data for this
Ligand-Target Pair
Protein tyrosine phosphatase 1B (PTP1B)


(Homo sapiens (Human))
BDBM50146462
PNG
((2E)-3-(2-hydroxyphenyl)-2-propenoic acid | (2E)-3...)
Show SMILES OC(=O)\C=C\c1ccccc1O
Show InChI InChI=1S/C9H8O3/c10-8-4-2-1-3-7(8)5-6-9(11)12/h1-6,10H,(H,11,12)/b6-5+
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n/an/a 1.38E+5n/an/an/an/a7.537



Chulalongkorn University



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...


J Enzyme Inhib Med Chem 28: 1067-72 (2013)


Article DOI: 10.3109/14756366.2012.715286
BindingDB Entry DOI: 10.7270/Q2FN1530
More data for this
Ligand-Target Pair
Nuclear factor NF-kappa-B (NF-kB)


(Homo sapiens (Human))
BDBM50146462
PNG
((2E)-3-(2-hydroxyphenyl)-2-propenoic acid | (2E)-3...)
Show SMILES OC(=O)\C=C\c1ccccc1O
Show InChI InChI=1S/C9H8O3/c10-8-4-2-1-3-7(8)5-6-9(11)12/h1-6,10H,(H,11,12)/b6-5+
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n/an/a 5.00E+4n/an/an/an/an/an/a



BioPharmaNet

Curated by ChEMBL


Assay Description
Inhibition of NF-KB p50 subunit/DNA interaction after 20 mins by EMSA


Bioorg Med Chem 18: 8341-9 (2010)


Article DOI: 10.1016/j.bmc.2010.09.063
BindingDB Entry DOI: 10.7270/Q27W6CFD
More data for this
Ligand-Target Pair
Tyrosinase


(Agaricus bisporus (Common mushroom))
BDBM50146462
PNG
((2E)-3-(2-hydroxyphenyl)-2-propenoic acid | (2E)-3...)
Show SMILES OC(=O)\C=C\c1ccccc1O
Show InChI InChI=1S/C9H8O3/c10-8-4-2-1-3-7(8)5-6-9(11)12/h1-6,10H,(H,11,12)/b6-5+
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n/an/a 6.70E+5n/an/an/an/an/an/a



Chungnam National University

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase after 10 mins by spectrophotometry


J Nat Prod 72: 1205-8 (2009)


Article DOI: 10.1021/np900031q
BindingDB Entry DOI: 10.7270/Q2QF8T0K
More data for this
Ligand-Target Pair