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15 similar compounds to monomer 50029207

Compile data set for download or QSAR
Wt: 284.3
BDBM50029225
Wt: 300.3
BDBM50029204
Wt: 312.3
BDBM50029206
Purchase
Wt: 334.3
BDBM50029210
Wt: 300.3
BDBM50029212
Wt: 334.3
BDBM50029214
Wt: 298.3
BDBM50029215
Purchase
Wt: 298.3
BDBM50029216
Purchase
Wt: 300.3
BDBM50029218
Wt: 400.3
BDBM50073636
Wt: 414.4
BDBM50073641
Wt: 314.3
BDBM50259746
Purchase
Wt: 268.3
BDBM50362833
Wt: 268.3
BDBM50362851
Wt: 344.3
BDBM50431470

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 46 hits for monomerid = 50029225,50029204,50029206,50029210,50029212,50029214,50029215,50029216,50029218,50073636,50073641,50259746,50362833,50362851,50431470   
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
Carbonic anhydrase 7


(Homo sapiens (human))
BDBM50259746
PNG
((4-Hydroxyphenyl)ethyl trans-ferulate | CHEMBL4812...)
Show SMILES COc1cc(\C=C\C(=O)OCCc2ccc(O)cc2)ccc1O
Show InChI InChI=1S/C18H18O5/c1-22-17-12-14(4-8-16(17)20)5-9-18(21)23-11-10-13-2-6-15(19)7-3-13/h2-9,12,19-20H,10-11H2,1H3/b9-5+
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620n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 7 preincubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 23: 7181-8 (2015)


Article DOI: 10.1016/j.bmc.2015.10.014
BindingDB Entry DOI: 10.7270/Q29W0HB2
More data for this
Ligand-Target Pair
Carbonic Anhydrase VB


(Homo sapiens (human))
BDBM50259746
PNG
((4-Hydroxyphenyl)ethyl trans-ferulate | CHEMBL4812...)
Show SMILES COc1cc(\C=C\C(=O)OCCc2ccc(O)cc2)ccc1O
Show InChI InChI=1S/C18H18O5/c1-22-17-12-14(4-8-16(17)20)5-9-18(21)23-11-10-13-2-6-15(19)7-3-13/h2-9,12,19-20H,10-11H2,1H3/b9-5+
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670n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 5B preincubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 23: 7181-8 (2015)


Article DOI: 10.1016/j.bmc.2015.10.014
BindingDB Entry DOI: 10.7270/Q29W0HB2
More data for this
Ligand-Target Pair
Carbonic Anhydrase XIV


(Homo sapiens (human))
BDBM50259746
PNG
((4-Hydroxyphenyl)ethyl trans-ferulate | CHEMBL4812...)
Show SMILES COc1cc(\C=C\C(=O)OCCc2ccc(O)cc2)ccc1O
Show InChI InChI=1S/C18H18O5/c1-22-17-12-14(4-8-16(17)20)5-9-18(21)23-11-10-13-2-6-15(19)7-3-13/h2-9,12,19-20H,10-11H2,1H3/b9-5+
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720n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 14 preincubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 23: 7181-8 (2015)


Article DOI: 10.1016/j.bmc.2015.10.014
BindingDB Entry DOI: 10.7270/Q29W0HB2
More data for this
Ligand-Target Pair
Carbonic anhydrase 6 (CA-VI)


(Homo sapiens (Human))
BDBM50259746
PNG
((4-Hydroxyphenyl)ethyl trans-ferulate | CHEMBL4812...)
Show SMILES COc1cc(\C=C\C(=O)OCCc2ccc(O)cc2)ccc1O
Show InChI InChI=1S/C18H18O5/c1-22-17-12-14(4-8-16(17)20)5-9-18(21)23-11-10-13-2-6-15(19)7-3-13/h2-9,12,19-20H,10-11H2,1H3/b9-5+
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770n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 6 preincubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 23: 7181-8 (2015)


Article DOI: 10.1016/j.bmc.2015.10.014
BindingDB Entry DOI: 10.7270/Q29W0HB2
More data for this
Ligand-Target Pair
Carbonic Anhydrase VA


(Homo sapiens (human))
BDBM50259746
PNG
((4-Hydroxyphenyl)ethyl trans-ferulate | CHEMBL4812...)
Show SMILES COc1cc(\C=C\C(=O)OCCc2ccc(O)cc2)ccc1O
Show InChI InChI=1S/C18H18O5/c1-22-17-12-14(4-8-16(17)20)5-9-18(21)23-11-10-13-2-6-15(19)7-3-13/h2-9,12,19-20H,10-11H2,1H3/b9-5+
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810n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 5A preincubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 23: 7181-8 (2015)


Article DOI: 10.1016/j.bmc.2015.10.014
BindingDB Entry DOI: 10.7270/Q29W0HB2
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM50259746
PNG
((4-Hydroxyphenyl)ethyl trans-ferulate | CHEMBL4812...)
Show SMILES COc1cc(\C=C\C(=O)OCCc2ccc(O)cc2)ccc1O
Show InChI InChI=1S/C18H18O5/c1-22-17-12-14(4-8-16(17)20)5-9-18(21)23-11-10-13-2-6-15(19)7-3-13/h2-9,12,19-20H,10-11H2,1H3/b9-5+
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810n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


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


Bioorg Med Chem 23: 7181-8 (2015)


Article DOI: 10.1016/j.bmc.2015.10.014
BindingDB Entry DOI: 10.7270/Q29W0HB2
More data for this
Ligand-Target Pair
Carbonic Anhydrase XIII


(Mus musculus (mouse))
BDBM50259746
PNG
((4-Hydroxyphenyl)ethyl trans-ferulate | CHEMBL4812...)
Show SMILES COc1cc(\C=C\C(=O)OCCc2ccc(O)cc2)ccc1O
Show InChI InChI=1S/C18H18O5/c1-22-17-12-14(4-8-16(17)20)5-9-18(21)23-11-10-13-2-6-15(19)7-3-13/h2-9,12,19-20H,10-11H2,1H3/b9-5+
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930n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of mouse carbonic anhydrase 13 preincubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 23: 7181-8 (2015)


Article DOI: 10.1016/j.bmc.2015.10.014
BindingDB Entry DOI: 10.7270/Q29W0HB2
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (human))
BDBM50259746
PNG
((4-Hydroxyphenyl)ethyl trans-ferulate | CHEMBL4812...)
Show SMILES COc1cc(\C=C\C(=O)OCCc2ccc(O)cc2)ccc1O
Show InChI InChI=1S/C18H18O5/c1-22-17-12-14(4-8-16(17)20)5-9-18(21)23-11-10-13-2-6-15(19)7-3-13/h2-9,12,19-20H,10-11H2,1H3/b9-5+
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8.47E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


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


Bioorg Med Chem 23: 7181-8 (2015)


Article DOI: 10.1016/j.bmc.2015.10.014
BindingDB Entry DOI: 10.7270/Q29W0HB2
More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Homo sapiens (human))
BDBM50259746
PNG
((4-Hydroxyphenyl)ethyl trans-ferulate | CHEMBL4812...)
Show SMILES COc1cc(\C=C\C(=O)OCCc2ccc(O)cc2)ccc1O
Show InChI InChI=1S/C18H18O5/c1-22-17-12-14(4-8-16(17)20)5-9-18(21)23-11-10-13-2-6-15(19)7-3-13/h2-9,12,19-20H,10-11H2,1H3/b9-5+
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4.40E+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 preincubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 23: 7181-8 (2015)


Article DOI: 10.1016/j.bmc.2015.10.014
BindingDB Entry DOI: 10.7270/Q29W0HB2
More data for this
Ligand-Target Pair
Carbonic Anhydrase III


(Homo sapiens (human))
BDBM50259746
PNG
((4-Hydroxyphenyl)ethyl trans-ferulate | CHEMBL4812...)
Show SMILES COc1cc(\C=C\C(=O)OCCc2ccc(O)cc2)ccc1O
Show InChI InChI=1S/C18H18O5/c1-22-17-12-14(4-8-16(17)20)5-9-18(21)23-11-10-13-2-6-15(19)7-3-13/h2-9,12,19-20H,10-11H2,1H3/b9-5+
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>5.00E+4n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 3 preincubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 23: 7181-8 (2015)


Article DOI: 10.1016/j.bmc.2015.10.014
BindingDB Entry DOI: 10.7270/Q29W0HB2
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50259746
PNG
((4-Hydroxyphenyl)ethyl trans-ferulate | CHEMBL4812...)
Show SMILES COc1cc(\C=C\C(=O)OCCc2ccc(O)cc2)ccc1O
Show InChI InChI=1S/C18H18O5/c1-22-17-12-14(4-8-16(17)20)5-9-18(21)23-11-10-13-2-6-15(19)7-3-13/h2-9,12,19-20H,10-11H2,1H3/b9-5+
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>5.00E+4n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


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


Bioorg Med Chem 23: 7181-8 (2015)


Article DOI: 10.1016/j.bmc.2015.10.014
BindingDB Entry DOI: 10.7270/Q29W0HB2
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (human))
BDBM50259746
PNG
((4-Hydroxyphenyl)ethyl trans-ferulate | CHEMBL4812...)
Show SMILES COc1cc(\C=C\C(=O)OCCc2ccc(O)cc2)ccc1O
Show InChI InChI=1S/C18H18O5/c1-22-17-12-14(4-8-16(17)20)5-9-18(21)23-11-10-13-2-6-15(19)7-3-13/h2-9,12,19-20H,10-11H2,1H3/b9-5+
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>5.00E+4n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


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


Bioorg Med Chem 23: 7181-8 (2015)


Article DOI: 10.1016/j.bmc.2015.10.014
BindingDB Entry DOI: 10.7270/Q29W0HB2
More data for this
Ligand-Target Pair
Aldo-keto reductase family member 1B10 (AKR1B10)


(Homo sapiens (Human))
BDBM50362851
PNG
(CHEMBL1940390)
Show SMILES Oc1ccc(\C=C\C(=O)OCCc2ccccc2)cc1
Show InChI InChI=1S/C17H16O3/c18-16-9-6-15(7-10-16)8-11-17(19)20-13-12-14-4-2-1-3-5-14/h1-11,18H,12-13H2/b11-8+
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n/an/a 69n/an/an/an/an/an/a



Gifu Pharmaceutical University

Curated by ChEMBL


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...


Eur J Med Chem 48: 321-9 (2012)


Article DOI: 10.1016/j.ejmech.2011.12.034
BindingDB Entry DOI: 10.7270/Q2TT4RDB
More data for this
Ligand-Target Pair
Aldo-keto reductase family member 1B10 (AKR1B10)


(Homo sapiens (Human))
BDBM50362833
PNG
(CHEMBL1940389)
Show SMILES Oc1cccc(\C=C\C(=O)OCCc2ccccc2)c1
Show InChI InChI=1S/C17H16O3/c18-16-8-4-7-15(13-16)9-10-17(19)20-12-11-14-5-2-1-3-6-14/h1-10,13,18H,11-12H2/b10-9+
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n/an/a 1.90E+4n/an/an/an/an/an/a



Gifu Pharmaceutical University

Curated by ChEMBL


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...


Eur J Med Chem 48: 321-9 (2012)


Article DOI: 10.1016/j.ejmech.2011.12.034
BindingDB Entry DOI: 10.7270/Q2TT4RDB
More data for this
Ligand-Target Pair
Transthyretin


(Homo sapiens (Human))
BDBM50029206
PNG
((E)-3-(3,4-Dimethoxy-phenyl)-acrylic acid phenethy...)
Show SMILES COc1ccc(\C=C\C(=O)OCCc2ccccc2)cc1OC
Show InChI InChI=1S/C19H20O4/c1-21-17-10-8-16(14-18(17)22-2)9-11-19(20)23-13-12-15-6-4-3-5-7-15/h3-11,14H,12-13H2,1-2H3/b11-9+
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n/an/an/an/a 5.80E+4n/an/an/an/a



University of Toyama

Curated by ChEMBL


Assay Description
Inhibition of TTR V30M mutant (unknown origin) expressed in Escherichia coli assessed as inhibition of amyloid fibril formation by fluorescence assay


J Med Chem 57: 8928-35 (2014)


Article DOI: 10.1021/jm500997m
BindingDB Entry DOI: 10.7270/Q2KD20HH
More data for this
Ligand-Target Pair
Transthyretin


(Homo sapiens (Human))
BDBM50029215
PNG
((E)-3-(3-Hydroxy-4-methoxy-phenyl)-acrylic acid ph...)
Show SMILES COc1ccc(\C=C\C(=O)OCCc2ccccc2)cc1O
Show InChI InChI=1S/C18H18O4/c1-21-17-9-7-15(13-16(17)19)8-10-18(20)22-12-11-14-5-3-2-4-6-14/h2-10,13,19H,11-12H2,1H3/b10-8+
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n/an/an/an/a 1.10E+4n/an/an/an/a



University of Toyama

Curated by ChEMBL


Assay Description
Inhibition of TTR V30M mutant (unknown origin) expressed in Escherichia coli assessed as inhibition of amyloid fibril formation by fluorescence assay


J Med Chem 57: 8928-35 (2014)


Article DOI: 10.1021/jm500997m
BindingDB Entry DOI: 10.7270/Q2KD20HH
More data for this
Ligand-Target Pair
Transthyretin


(Homo sapiens (Human))
BDBM50029216
PNG
((E)-3-(4-Hydroxy-3-methoxy-phenyl)-acrylic acid ph...)
Show SMILES COc1cc(\C=C\C(=O)OCCc2ccccc2)ccc1O
Show InChI InChI=1S/C18H18O4/c1-21-17-13-15(7-9-16(17)19)8-10-18(20)22-12-11-14-5-3-2-4-6-14/h2-10,13,19H,11-12H2,1H3/b10-8+
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n/an/an/an/a 7.90E+3n/an/an/an/a



University of Toyama

Curated by ChEMBL


Assay Description
Inhibition of TTR V30M mutant (unknown origin) expressed in Escherichia coli assessed as inhibition of amyloid fibril formation by fluorescence assay


J Med Chem 57: 8928-35 (2014)


Article DOI: 10.1021/jm500997m
BindingDB Entry DOI: 10.7270/Q2KD20HH
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (human))
BDBM50259746
PNG
((4-Hydroxyphenyl)ethyl trans-ferulate | CHEMBL4812...)
Show SMILES COc1cc(\C=C\C(=O)OCCc2ccc(O)cc2)ccc1O
Show InChI InChI=1S/C18H18O5/c1-22-17-12-14(4-8-16(17)20)5-9-18(21)23-11-10-13-2-6-15(19)7-3-13/h2-9,12,19-20H,10-11H2,1H3/b9-5+
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n/an/a 4.76E+4n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human recombinant 5HT7 receptor expressed in CHO cells by liquid scintillation counting


J Nat Prod 69: 536-41 (2006)


Article DOI: 10.1021/np050301s
BindingDB Entry DOI: 10.7270/Q2ST7PM1
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50431470
PNG
(TYROSOL SINAPATE)
Show SMILES COc1cc(\C=C\C(=O)OCCc2ccc(O)cc2)cc(OC)c1O
Show InChI InChI=1S/C19H20O6/c1-23-16-11-14(12-17(24-2)19(16)22)5-8-18(21)25-10-9-13-3-6-15(20)7-4-13/h3-8,11-12,20,22H,9-10H2,1-2H3/b8-5+
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n/an/a 1.37E+4n/an/an/an/an/an/a



University of Louisiana at Monroe

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal His-tagged cytoplasmic c-MET kinase domain (956 to 1390 residues) phosphorylation expressed in baculovirus...


Eur J Med Chem 118: 299-315 (2016)


Article DOI: 10.1016/j.ejmech.2016.04.043
BindingDB Entry DOI: 10.7270/Q2GT5Q35
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50259746
PNG
((4-Hydroxyphenyl)ethyl trans-ferulate | CHEMBL4812...)
Show SMILES COc1cc(\C=C\C(=O)OCCc2ccc(O)cc2)ccc1O
Show InChI InChI=1S/C18H18O5/c1-22-17-12-14(4-8-16(17)20)5-9-18(21)23-11-10-13-2-6-15(19)7-3-13/h2-9,12,19-20H,10-11H2,1H3/b9-5+
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n/an/a 1.29E+4n/an/an/an/an/an/a



University of Louisiana at Monroe

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal His-tagged cytoplasmic c-MET kinase domain (956 to 1390 residues) phosphorylation expressed in baculovirus...


Eur J Med Chem 118: 299-315 (2016)


Article DOI: 10.1016/j.ejmech.2016.04.043
BindingDB Entry DOI: 10.7270/Q2GT5Q35
More data for this
Ligand-Target Pair
Aldose reductase (AR)


(Homo sapiens (Human))
BDBM50362851
PNG
(CHEMBL1940390)
Show SMILES Oc1ccc(\C=C\C(=O)OCCc2ccccc2)cc1
Show InChI InChI=1S/C17H16O3/c18-16-9-6-15(7-10-16)8-11-17(19)20-13-12-14-4-2-1-3-5-14/h1-11,18H,12-13H2/b11-8+
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n/an/a 2.20E+3n/an/an/an/an/an/a



Gifu Pharmaceutical University

Curated by ChEMBL


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...


Eur J Med Chem 48: 321-9 (2012)


Article DOI: 10.1016/j.ejmech.2011.12.034
BindingDB Entry DOI: 10.7270/Q2TT4RDB
More data for this
Ligand-Target Pair
Aldose reductase (AR)


(Homo sapiens (Human))
BDBM50362833
PNG
(CHEMBL1940389)
Show SMILES Oc1cccc(\C=C\C(=O)OCCc2ccccc2)c1
Show InChI InChI=1S/C17H16O3/c18-16-8-4-7-15(13-16)9-10-17(19)20-12-11-14-5-2-1-3-6-14/h1-10,13,18H,11-12H2/b10-9+
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n/an/a 7.30E+4n/an/an/an/an/an/a



Gifu Pharmaceutical University

Curated by ChEMBL


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...


Eur J Med Chem 48: 321-9 (2012)


Article DOI: 10.1016/j.ejmech.2011.12.034
BindingDB Entry DOI: 10.7270/Q2TT4RDB
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
BDBM50073636
PNG
((E)-3-(3,4-Dihydroxy-phenyl)-acrylic acid 3-[(E)-3...)
Show SMILES Oc1ccc(\C=C\C(=O)OCCCOC(=O)\C=C\c2ccc(O)c(O)c2)cc1O
Show InChI InChI=1S/C21H20O8/c22-16-6-2-14(12-18(16)24)4-8-20(26)28-10-1-11-29-21(27)9-5-15-3-7-17(23)19(25)13-15/h2-9,12-13,22-25H,1,10-11H2/b8-4+,9-5+
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibitory activity against Human Immunodeficiency Virus Type 1 integrase (HIV-1 IN) in the disintegration assay.


J Med Chem 42: 497-509 (1999)


Article DOI: 10.1021/jm9804735
BindingDB Entry DOI: 10.7270/Q2G161J5
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
BDBM50073641
PNG
((E)-3-(3,4-Dihydroxy-phenyl)-acrylic acid 4-[(E)-3...)
Show SMILES Oc1ccc(\C=C\C(=O)OCCCCOC(=O)\C=C\c2ccc(O)c(O)c2)cc1O
Show InChI InChI=1S/C22H22O8/c23-17-7-3-15(13-19(17)25)5-9-21(27)29-11-1-2-12-30-22(28)10-6-16-4-8-18(24)20(26)14-16/h3-10,13-14,23-26H,1-2,11-12H2/b9-5+,10-6+
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibitory activity against Human Immunodeficiency Virus Type 1 integrase (HIV-1 IN) in the disintegration assay.


J Med Chem 42: 497-509 (1999)


Article DOI: 10.1021/jm9804735
BindingDB Entry DOI: 10.7270/Q2G161J5
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50431470
PNG
(TYROSOL SINAPATE)
Show SMILES COc1cc(\C=C\C(=O)OCCc2ccc(O)cc2)cc(OC)c1O
Show InChI InChI=1S/C19H20O6/c1-23-16-11-14(12-17(24-2)19(16)22)5-8-18(21)25-10-9-13-3-6-15(20)7-4-13/h3-8,11-12,20,22H,9-10H2,1-2H3/b8-5+
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n/an/a 1.37E+4n/an/an/an/an/an/a



University of Louisiana at Monroe

Curated by ChEMBL


Assay Description
Inhibition of c-MET phosphorylation (unknown origin) after 1 hr by Z'-LYTE kinase assay


Bioorg Med Chem 21: 2117-27 (2013)


Article DOI: 10.1016/j.bmc.2012.12.050
BindingDB Entry DOI: 10.7270/Q2DZ09N7
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
BDBM50029215
PNG
((E)-3-(3-Hydroxy-4-methoxy-phenyl)-acrylic acid ph...)
Show SMILES COc1ccc(\C=C\C(=O)OCCc2ccccc2)cc1O
Show InChI InChI=1S/C18H18O4/c1-21-17-9-7-15(13-16(17)19)8-10-18(20)22-12-11-14-5-3-2-4-6-14/h2-10,13,19H,11-12H2,1H3/b10-8+
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n/an/a 6.03E+4n/an/an/an/an/an/a



University of Tennessee Health Science Center

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 Integrase (HIV-1-IN)


J Med Chem 45: 841-52 (2002)


Article DOI: 10.1021/jm010399h
BindingDB Entry DOI: 10.7270/Q28W3FGV
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
BDBM50029214
PNG
((E)-3-(3,4-Dihydroxy-phenyl)-acrylic acid 2-naphth...)
Show SMILES Oc1ccc(\C=C\C(=O)OCCc2ccc3ccccc3c2)cc1O
Show InChI InChI=1S/C21H18O4/c22-19-9-6-15(14-20(19)23)7-10-21(24)25-12-11-16-5-8-17-3-1-2-4-18(17)13-16/h1-10,13-14,22-23H,11-12H2/b10-7+
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n/an/a 4.37E+4n/an/an/an/an/an/a



University of Tennessee Health Science Center

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 Integrase (HIV-1-IN)


J Med Chem 45: 841-52 (2002)


Article DOI: 10.1021/jm010399h
BindingDB Entry DOI: 10.7270/Q28W3FGV
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
BDBM50029204
PNG
((E)-3-(2,3,4-Trihydroxy-phenyl)-acrylic acid phene...)
Show SMILES Oc1ccc(\C=C\C(=O)OCCc2ccccc2)c(O)c1O
Show InChI InChI=1S/C17H16O5/c18-14-8-6-13(16(20)17(14)21)7-9-15(19)22-11-10-12-4-2-1-3-5-12/h1-9,18,20-21H,10-11H2/b9-7+
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n/an/a 2.00E+3n/an/an/an/an/an/a



University of Tennessee Health Science Center

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 Integrase (HIV-1-IN)


J Med Chem 45: 841-52 (2002)


Article DOI: 10.1021/jm010399h
BindingDB Entry DOI: 10.7270/Q28W3FGV
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
BDBM50029212
PNG
((E)-3-(2,4,5-Trihydroxy-phenyl)-acrylic acid phene...)
Show SMILES Oc1cc(O)c(\C=C\C(=O)OCCc2ccccc2)cc1O
Show InChI InChI=1S/C17H16O5/c18-14-11-16(20)15(19)10-13(14)6-7-17(21)22-9-8-12-4-2-1-3-5-12/h1-7,10-11,18-20H,8-9H2/b7-6+
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n/an/a 5.50E+4n/an/an/an/an/an/a



University of Tennessee Health Science Center

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 Integrase (HIV-1-IN)


J Med Chem 45: 841-52 (2002)


Article DOI: 10.1021/jm010399h
BindingDB Entry DOI: 10.7270/Q28W3FGV
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
BDBM50029210
PNG
((E)-3-(3,4-Dihydroxy-phenyl)-acrylic acid 2-naphth...)
Show SMILES Oc1ccc(\C=C\C(=O)OCCc2cccc3ccccc23)cc1O
Show InChI InChI=1S/C21H18O4/c22-19-10-8-15(14-20(19)23)9-11-21(24)25-13-12-17-6-3-5-16-4-1-2-7-18(16)17/h1-11,14,22-23H,12-13H2/b11-9+
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n/an/a 1.51E+4n/an/an/an/an/an/a



University of Tennessee Health Science Center

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 Integrase (HIV-1-IN)


J Med Chem 45: 841-52 (2002)


Article DOI: 10.1021/jm010399h
BindingDB Entry DOI: 10.7270/Q28W3FGV
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
BDBM50029218
PNG
((E)-3-(3,4,5-Trihydroxy-phenyl)-acrylic acid phene...)
Show SMILES Oc1cc(\C=C\C(=O)OCCc2ccccc2)cc(O)c1O
Show InChI InChI=1S/C17H16O5/c18-14-10-13(11-15(19)17(14)21)6-7-16(20)22-9-8-12-4-2-1-3-5-12/h1-7,10-11,18-19,21H,8-9H2/b7-6+
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n/an/a 2.00E+3n/an/an/an/an/an/a



University of Tennessee Health Science Center

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 Integrase (HIV-1-IN)


J Med Chem 45: 841-52 (2002)


Article DOI: 10.1021/jm010399h
BindingDB Entry DOI: 10.7270/Q28W3FGV
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
BDBM50029216
PNG
((E)-3-(4-Hydroxy-3-methoxy-phenyl)-acrylic acid ph...)
Show SMILES COc1cc(\C=C\C(=O)OCCc2ccccc2)ccc1O
Show InChI InChI=1S/C18H18O4/c1-21-17-13-15(7-9-16(17)19)8-10-18(20)22-12-11-14-5-3-2-4-6-14/h2-10,13,19H,11-12H2,1H3/b10-8+
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n/an/a 1.00E+5n/an/an/an/an/an/a



University of Tennessee Health Science Center

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 Integrase (HIV-1-IN)


J Med Chem 45: 841-52 (2002)


Article DOI: 10.1021/jm010399h
BindingDB Entry DOI: 10.7270/Q28W3FGV
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
BDBM50029225
PNG
((E)-3-(2,5-Dihydroxy-phenyl)-acrylic acid phenethy...)
Show SMILES Oc1ccc(O)c(\C=C\C(=O)OCCc2ccccc2)c1
Show InChI InChI=1S/C17H16O4/c18-15-7-8-16(19)14(12-15)6-9-17(20)21-11-10-13-4-2-1-3-5-13/h1-9,12,18-19H,10-11H2/b9-6+
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n/an/a 1.00E+5n/an/an/an/an/an/a



University of Tennessee Health Science Center

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 Integrase (HIV-1-IN)


J Med Chem 45: 841-52 (2002)


Article DOI: 10.1021/jm010399h
BindingDB Entry DOI: 10.7270/Q28W3FGV
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
BDBM50073636
PNG
((E)-3-(3,4-Dihydroxy-phenyl)-acrylic acid 3-[(E)-3...)
Show SMILES Oc1ccc(\C=C\C(=O)OCCCOC(=O)\C=C\c2ccc(O)c(O)c2)cc1O
Show InChI InChI=1S/C21H20O8/c22-16-6-2-14(12-18(16)24)4-8-20(26)28-10-1-11-29-21(27)9-5-15-3-7-17(23)19(25)13-15/h2-9,12-13,22-25H,1,10-11H2/b8-4+,9-5+
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n/an/a 2.75E+4n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibitory concentration against HIV-1 integrase by radiolabeled oligonucleotide-based assay 3''-processing


J Med Chem 42: 1401-14 (1999)


Article DOI: 10.1021/jm980531m
BindingDB Entry DOI: 10.7270/Q2RJ4HPN
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
BDBM50073636
PNG
((E)-3-(3,4-Dihydroxy-phenyl)-acrylic acid 3-[(E)-3...)
Show SMILES Oc1ccc(\C=C\C(=O)OCCCOC(=O)\C=C\c2ccc(O)c(O)c2)cc1O
Show InChI InChI=1S/C21H20O8/c22-16-6-2-14(12-18(16)24)4-8-20(26)28-10-1-11-29-21(27)9-5-15-3-7-17(23)19(25)13-15/h2-9,12-13,22-25H,1,10-11H2/b8-4+,9-5+
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n/an/a 7.50E+3n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 integrase by radiolabeled oligonucleotide-based assay integration


J Med Chem 42: 1401-14 (1999)


Article DOI: 10.1021/jm980531m
BindingDB Entry DOI: 10.7270/Q2RJ4HPN
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
BDBM50029212
PNG
((E)-3-(2,4,5-Trihydroxy-phenyl)-acrylic acid phene...)
Show SMILES Oc1cc(O)c(\C=C\C(=O)OCCc2ccccc2)cc1O
Show InChI InChI=1S/C17H16O5/c18-14-11-16(20)15(19)10-13(14)6-7-17(21)22-9-8-12-4-2-1-3-5-12/h1-7,10-11,18-20H,8-9H2/b7-6+
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n/an/a 5.50E+4n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against HIV-1 integrase.


J Med Chem 38: 4171-8 (1995)


Article DOI: 10.1021/jm00021a006
BindingDB Entry DOI: 10.7270/Q2SB44R7
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
BDBM50029216
PNG
((E)-3-(4-Hydroxy-3-methoxy-phenyl)-acrylic acid ph...)
Show SMILES COc1cc(\C=C\C(=O)OCCc2ccccc2)ccc1O
Show InChI InChI=1S/C18H18O4/c1-21-17-13-15(7-9-16(17)19)8-10-18(20)22-12-11-14-5-3-2-4-6-14/h2-10,13,19H,11-12H2,1H3/b10-8+
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n/an/a>1.00E+5n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against HIV-1 integrase.


J Med Chem 38: 4171-8 (1995)


Article DOI: 10.1021/jm00021a006
BindingDB Entry DOI: 10.7270/Q2SB44R7
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
BDBM50029215
PNG
((E)-3-(3-Hydroxy-4-methoxy-phenyl)-acrylic acid ph...)
Show SMILES COc1ccc(\C=C\C(=O)OCCc2ccccc2)cc1O
Show InChI InChI=1S/C18H18O4/c1-21-17-9-7-15(13-16(17)19)8-10-18(20)22-12-11-14-5-3-2-4-6-14/h2-10,13,19H,11-12H2,1H3/b10-8+
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n/an/a 6.00E+4n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against HIV-1 integrase.


J Med Chem 38: 4171-8 (1995)


Article DOI: 10.1021/jm00021a006
BindingDB Entry DOI: 10.7270/Q2SB44R7
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
BDBM50029214
PNG
((E)-3-(3,4-Dihydroxy-phenyl)-acrylic acid 2-naphth...)
Show SMILES Oc1ccc(\C=C\C(=O)OCCc2ccc3ccccc3c2)cc1O
Show InChI InChI=1S/C21H18O4/c22-19-9-6-15(14-20(19)23)7-10-21(24)25-12-11-16-5-8-17-3-1-2-4-18(17)13-16/h1-10,13-14,22-23H,11-12H2/b10-7+
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n/an/a 4.40E+4n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against HIV-1 integrase.


J Med Chem 38: 4171-8 (1995)


Article DOI: 10.1021/jm00021a006
BindingDB Entry DOI: 10.7270/Q2SB44R7
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
BDBM50029206
PNG
((E)-3-(3,4-Dimethoxy-phenyl)-acrylic acid phenethy...)
Show SMILES COc1ccc(\C=C\C(=O)OCCc2ccccc2)cc1OC
Show InChI InChI=1S/C19H20O4/c1-21-17-10-8-16(14-18(17)22-2)9-11-19(20)23-13-12-15-6-4-3-5-7-15/h3-11,14H,12-13H2,1-2H3/b11-9+
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n/an/a>1.00E+5n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against HIV-1 integrase.


J Med Chem 38: 4171-8 (1995)


Article DOI: 10.1021/jm00021a006
BindingDB Entry DOI: 10.7270/Q2SB44R7
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
BDBM50029210
PNG
((E)-3-(3,4-Dihydroxy-phenyl)-acrylic acid 2-naphth...)
Show SMILES Oc1ccc(\C=C\C(=O)OCCc2cccc3ccccc23)cc1O
Show InChI InChI=1S/C21H18O4/c22-19-10-8-15(14-20(19)23)9-11-21(24)25-13-12-17-6-3-5-16-4-1-2-7-18(16)17/h1-11,14,22-23H,12-13H2/b11-9+
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n/an/a 1.50E+4n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against HIV-1 integrase.


J Med Chem 38: 4171-8 (1995)


Article DOI: 10.1021/jm00021a006
BindingDB Entry DOI: 10.7270/Q2SB44R7
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
BDBM50029225
PNG
((E)-3-(2,5-Dihydroxy-phenyl)-acrylic acid phenethy...)
Show SMILES Oc1ccc(O)c(\C=C\C(=O)OCCc2ccccc2)c1
Show InChI InChI=1S/C17H16O4/c18-15-7-8-16(19)14(12-15)6-9-17(20)21-11-10-13-4-2-1-3-5-13/h1-9,12,18-19H,10-11H2/b9-6+
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PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against HIV-1 integrase.


J Med Chem 38: 4171-8 (1995)


Article DOI: 10.1021/jm00021a006
BindingDB Entry DOI: 10.7270/Q2SB44R7
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
BDBM50029218
PNG
((E)-3-(3,4,5-Trihydroxy-phenyl)-acrylic acid phene...)
Show SMILES Oc1cc(\C=C\C(=O)OCCc2ccccc2)cc(O)c1O
Show InChI InChI=1S/C17H16O5/c18-14-10-13(11-15(19)17(14)21)6-7-16(20)22-9-8-12-4-2-1-3-5-12/h1-7,10-11,18-19,21H,8-9H2/b7-6+
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n/an/a 2.00E+3n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against HIV-1 integrase.


J Med Chem 38: 4171-8 (1995)


Article DOI: 10.1021/jm00021a006
BindingDB Entry DOI: 10.7270/Q2SB44R7
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
BDBM50029206
PNG
((E)-3-(3,4-Dimethoxy-phenyl)-acrylic acid phenethy...)
Show SMILES COc1ccc(\C=C\C(=O)OCCc2ccccc2)cc1OC
Show InChI InChI=1S/C19H20O4/c1-21-17-10-8-16(14-18(17)22-2)9-11-19(20)23-13-12-15-6-4-3-5-7-15/h3-11,14H,12-13H2,1-2H3/b11-9+
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n/an/a 1.00E+5n/an/an/an/an/an/a



University of Tennessee Health Science Center

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 Integrase (HIV-1-IN)


J Med Chem 45: 841-52 (2002)


Article DOI: 10.1021/jm010399h
BindingDB Entry DOI: 10.7270/Q28W3FGV
More data for this
Ligand-Target Pair
Pancreatic lipase


(Sus scrofa (Pig))
BDBM50259746
PNG
((4-Hydroxyphenyl)ethyl trans-ferulate | CHEMBL4812...)
Show SMILES COc1cc(\C=C\C(=O)OCCc2ccc(O)cc2)ccc1O
Show InChI InChI=1S/C18H18O5/c1-22-17-12-14(4-8-16(17)20)5-9-18(21)23-11-10-13-2-6-15(19)7-3-13/h2-9,12,19-20H,10-11H2,1H3/b9-5+
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PubMed
n/an/a>5.00E+4n/an/an/an/a7.437



Seoul National University



Assay Description
Various concentrations of test compound (5, 10, 25, 50 and 100 mM) were dissolved in DMSO (final culture concentration 0.1%) and 4-MU oleate and lipa...


J Enzyme Inhib Med Chem 29: 1-6 (2014)


Article DOI: 10.3109/14756366.2012.742517
BindingDB Entry DOI: 10.7270/Q2DJ5DKB
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
BDBM50029204
PNG
((E)-3-(2,3,4-Trihydroxy-phenyl)-acrylic acid phene...)
Show SMILES Oc1ccc(\C=C\C(=O)OCCc2ccccc2)c(O)c1O
Show InChI InChI=1S/C17H16O5/c18-14-8-6-13(16(20)17(14)21)7-9-15(19)22-11-10-12-4-2-1-3-5-12/h1-9,18,20-21H,10-11H2/b9-7+
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PubMed
n/an/a 2.00E+3n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against HIV-1 integrase.


J Med Chem 38: 4171-8 (1995)


Article DOI: 10.1021/jm00021a006
BindingDB Entry DOI: 10.7270/Q2SB44R7
More data for this
Ligand-Target Pair