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27 similar compounds to monomer 50157556

Compile data set for download or QSAR
Wt: 286.2
BDBM50042956
Wt: 300.3
BDBM50042968
Wt: 286.2
BDBM50042972
Wt: 256.2
BDBM50042979
Wt: 240.2
BDBM50042987
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Wt: 288.2
BDBM50042994
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Wt: 272.2
BDBM50042966
Wt: 256.2
BDBM50042976
Purchase
Wt: 256.2
BDBM50042982
Purchase
Wt: 272.2
BDBM50042993
Purchase
Wt: 256.2
BDBM50042944
Purchase
Wt: 272.2
BDBM50042949
Purchase
Wt: 346.3
BDBM50159293
Wt: 344.3
BDBM50159295
Wt: 272.2
BDBM50157562
Displayed 1 to 15 (of 27 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 90 hits for monomerid = 50042956,50042968,50042972,50042979,50042987,50042994,50042966,50042976,50042982,50042993,50042944,50042949,50159293,50159295,50157562   
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
Enoyl-acyl-carrier protein reductase


(Plasmodium falciparum)
BDBM50042949
PNG
((E)-1-(2,4-dihydroxyphenyl)-3-(3,4-dihydroxyphenyl...)
Show SMILES Oc1ccc(C(=O)\C=C\c2ccc(O)c(O)c2)c(O)c1
Show InChI InChI=1S/C15H12O5/c16-10-3-4-11(14(19)8-10)12(17)5-1-9-2-6-13(18)15(20)7-9/h1-8,16,18-20H/b5-1+
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PubMed
14n/an/an/an/an/an/an/an/a



National Institute of Immunology

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum ENR in presence of triclosan


J Med Chem 50: 765-75 (2007)


Article DOI: 10.1021/jm061154d
BindingDB Entry DOI: 10.7270/Q2QJ7J4Q
More data for this
Ligand-Target Pair
Alpha-synuclein


(Homo sapiens (Human))
BDBM50157562
PNG
(1,3-bis(3,4-dihydroxyphenyl)prop-2-en-1-one | 3,3'...)
Show SMILES Oc1ccc(\C=C\C(=O)c2ccc(O)c(O)c2)cc1O
Show InChI InChI=1S/C15H12O5/c16-11(10-3-6-13(18)15(20)8-10)4-1-9-2-5-12(17)14(19)7-9/h1-8,17-20H/b4-1+
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US Patent
1.10E+3n/an/an/an/an/an/a7.4n/a



PROTEOTECH INC

US Patent


Assay Description
The compounds prepared in the preceding examples were found to bind with high affinity to α-synuclein aggregates/fibrils that are found in the h...


US Patent US9085549 (2015)


BindingDB Entry DOI: 10.7270/Q2WD3Z9K
More data for this
Ligand-Target Pair
Enoyl-acyl-carrier protein reductase


(Plasmodium falciparum)
BDBM50042949
PNG
((E)-1-(2,4-dihydroxyphenyl)-3-(3,4-dihydroxyphenyl...)
Show SMILES Oc1ccc(C(=O)\C=C\c2ccc(O)c(O)c2)c(O)c1
Show InChI InChI=1S/C15H12O5/c16-10-3-4-11(14(19)8-10)12(17)5-1-9-2-6-13(18)15(20)7-9/h1-8,16,18-20H/b5-1+
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2.97E+3n/an/an/an/an/an/an/an/a



National Institute of Immunology

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum ENR using crotonyl-CoA substrate


J Med Chem 50: 765-75 (2007)


Article DOI: 10.1021/jm061154d
BindingDB Entry DOI: 10.7270/Q2QJ7J4Q
More data for this
Ligand-Target Pair
Enoyl-acyl-carrier protein reductase


(Plasmodium falciparum)
BDBM50042949
PNG
((E)-1-(2,4-dihydroxyphenyl)-3-(3,4-dihydroxyphenyl...)
Show SMILES Oc1ccc(C(=O)\C=C\c2ccc(O)c(O)c2)c(O)c1
Show InChI InChI=1S/C15H12O5/c16-10-3-4-11(14(19)8-10)12(17)5-1-9-2-6-13(18)15(20)7-9/h1-8,16,18-20H/b5-1+
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5.50E+3n/an/an/an/an/an/an/an/a



National Institute of Immunology

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum ENR using NADH substrate


J Med Chem 50: 765-75 (2007)


Article DOI: 10.1021/jm061154d
BindingDB Entry DOI: 10.7270/Q2QJ7J4Q
More data for this
Ligand-Target Pair
RecName: Full=Zinc finger protein mex-5


(Caenorhabditis elegans)
BDBM50042982
PNG
(2',3,4-trihydroxychalcone | 3-(3,4-Dihydroxy-pheny...)
Show SMILES Oc1ccc(\C=C\C(=O)c2ccccc2O)cc1O
Show InChI InChI=1S/C15H12O4/c16-12-4-2-1-3-11(12)13(17)7-5-10-6-8-14(18)15(19)9-10/h1-9,16,18-19H/b7-5+
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n/an/an/an/a 4.23E+4n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Broad Institute: MLPCN maternal gene expression Project ID: 2024 Keywords: Zinc finger, C. elegans, maternal gene expression, RNA-protein interac...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2D798VP
More data for this
Ligand-Target Pair
POsterior Segregation family member (pos-1)


(Caenorhabditis elegans)
BDBM50042982
PNG
(2',3,4-trihydroxychalcone | 3-(3,4-Dihydroxy-pheny...)
Show SMILES Oc1ccc(\C=C\C(=O)c2ccccc2O)cc1O
Show InChI InChI=1S/C15H12O4/c16-12-4-2-1-3-11(12)13(17)7-5-10-6-8-14(18)15(19)9-10/h1-9,16,18-19H/b7-5+
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n/an/an/an/a 3.00E+5n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Broad Institute: MLPCN maternal gene expression Project ID: 2024 Keywords: Zinc finger, C. elegans, maternal gene expression, RNA-protein interac...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q28G8J4C
More data for this
Ligand-Target Pair
large T antigen


(Simian virus 40)
BDBM50042982
PNG
(2',3,4-trihydroxychalcone | 3-(3,4-Dihydroxy-pheny...)
Show SMILES Oc1ccc(\C=C\C(=O)c2ccccc2O)cc1O
Show InChI InChI=1S/C15H12O4/c16-12-4-2-1-3-11(12)13(17)7-5-10-6-8-14(18)15(19)9-10/h1-9,16,18-19H/b7-5+
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n/an/an/an/a 2.63E+4n/an/an/an/a



Southern Research Specialized Biocontainment Screening Center

Curated by PubChem BioAssay


Assay Description
Southern Research's Specialized Biocontainment Screening Center (SRSBSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Librarie...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2ZK5F47
More data for this
Ligand-Target Pair
Bcl-2-like protein 11


(Homo sapiens (Human))
BDBM50042944
PNG
((E)-1-(2,4-Dihydroxy-phenyl)-3-(4-hydroxy-phenyl)-...)
Show SMILES Oc1ccc(\C=C\C(=O)c2ccc(O)cc2O)cc1
Show InChI InChI=1S/C15H12O4/c16-11-4-1-10(2-5-11)3-8-14(18)13-7-6-12(17)9-15(13)19/h1-9,16-17,19H/b8-3+
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n/an/an/an/a>3.50E+5n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: apoptosis, BH3 domain, Bcl2-A1, BIM, caspase, cancer Primary Collaborator: Todd Golub, Broad Institute, golub@broadinstitute.org Assay Over...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q24J0CKJ
More data for this
Ligand-Target Pair
Probable global transcription activator SNF2L2


(Homo sapiens (Human))
BDBM50042944
PNG
((E)-1-(2,4-Dihydroxy-phenyl)-3-(4-hydroxy-phenyl)-...)
Show SMILES Oc1ccc(\C=C\C(=O)c2ccc(O)cc2O)cc1
Show InChI InChI=1S/C15H12O4/c16-11-4-1-10(2-5-11)3-8-14(18)13-7-6-12(17)9-15(13)19/h1-9,16-17,19H/b8-3+
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n/an/an/an/a 9.11E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2GF0S4R
More data for this
Ligand-Target Pair
Tyrosinase


(Agaricus bisporus (Common mushroom))
BDBM50042987
PNG
((E)-1-(2,4-Dihydroxy-phenyl)-3-phenyl-propenone | ...)
Show SMILES Oc1ccc(C(=O)\C=C\c2ccccc2)c(O)c1
Show InChI InChI=1S/C15H12O3/c16-12-7-8-13(15(18)10-12)14(17)9-6-11-4-2-1-3-5-11/h1-10,16,18H/b9-6+
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PubMed
n/an/a 1.10E+5n/an/an/an/a6.825



Shaoyang University



Assay Description
All compounds were dissolved in DMSO (final DMSO concentration in test solution was 2.0%). Phosphate buffer, pH 6.8, was use to dilute the DMSO stoc...


Chem Biol Drug Des 82: 39-47 (2013)


Article DOI: 10.1111/cbdd.12126
BindingDB Entry DOI: 10.7270/Q20C4TD7
More data for this
Ligand-Target Pair
Tau


(Homo sapiens (Human))
BDBM50157562
PNG
(1,3-bis(3,4-dihydroxyphenyl)prop-2-en-1-one | 3,3'...)
Show SMILES Oc1ccc(\C=C\C(=O)c2ccc(O)c(O)c2)cc1O
Show InChI InChI=1S/C15H12O5/c16-11(10-3-6-13(18)15(20)8-10)4-1-9-2-5-12(17)14(19)7-9/h1-8,17-20H/b4-1+
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US Patent
n/an/a 2.14E+4n/an/an/an/an/an/a



PROTEOTECH INC

US Patent


Assay Description
The Thio S fluorometry assay as a primary screening method to identify tau protein aggregation inhibitors from our small molecule library. Aggregated...


US Patent US9085549 (2015)


BindingDB Entry DOI: 10.7270/Q2WD3Z9K
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50042944
PNG
((E)-1-(2,4-Dihydroxy-phenyl)-3-(4-hydroxy-phenyl)-...)
Show SMILES Oc1ccc(\C=C\C(=O)c2ccc(O)cc2O)cc1
Show InChI InChI=1S/C15H12O4/c16-11-4-1-10(2-5-11)3-8-14(18)13-7-6-12(17)9-15(13)19/h1-9,16-17,19H/b8-3+
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PubMed
n/an/a 3.30E+4n/an/an/an/a4.537



Shanghai Institute of Materia Medica, Chinese Academy of Sciences



Assay Description
The assay based on fluorescenceresonance energy transfer was carried out with BACE1 enzyme at pH 4.5 with a substrate, H-Lys(DABSYL)-SEVNLDAEFR-Gin-(...


J Enzyme Inhib Med Chem 26: 643-8 (2011)


Article DOI: 10.3109/14756366.2010.543420
BindingDB Entry DOI: 10.7270/Q2DR2TCJ
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50042949
PNG
((E)-1-(2,4-dihydroxyphenyl)-3-(3,4-dihydroxyphenyl...)
Show SMILES Oc1ccc(C(=O)\C=C\c2ccc(O)c(O)c2)c(O)c1
Show InChI InChI=1S/C15H12O5/c16-10-3-4-11(14(19)8-10)12(17)5-1-9-2-6-13(18)15(20)7-9/h1-8,16,18-20H/b5-1+
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PubMed
n/an/a 2.37E+3n/an/an/an/a4.537



Shanghai Institute of Materia Medica, Chinese Academy of Sciences



Assay Description
The assay based on fluorescenceresonance energy transfer was carried out with BACE1 enzyme at pH 4.5 with a substrate, H-Lys(DABSYL)-SEVNLDAEFR-Gin-(...


J Enzyme Inhib Med Chem 26: 643-8 (2011)


Article DOI: 10.3109/14756366.2010.543420
BindingDB Entry DOI: 10.7270/Q2DR2TCJ
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
BDBM50042944
PNG
((E)-1-(2,4-Dihydroxy-phenyl)-3-(4-hydroxy-phenyl)-...)
Show SMILES Oc1ccc(\C=C\C(=O)c2ccc(O)cc2O)cc1
Show InChI InChI=1S/C15H12O4/c16-11-4-1-10(2-5-11)3-8-14(18)13-7-6-12(17)9-15(13)19/h1-9,16-17,19H/b8-3+
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n/an/a 3.50E+4n/an/an/an/an/an/a



Tokushima Bunri University

Curated by ChEMBL


Assay Description
In vitro inhibition against 5-lipoxygenase in RBL-1 cells was determined


J Med Chem 36: 3904-9 (1994)


Article DOI: 10.1021/jm00076a019
BindingDB Entry DOI: 10.7270/Q2MS3RT4
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
BDBM50042966
PNG
(3-(3,4-Dihydroxy-phenyl)-1-(2,5-dihydroxy-phenyl)-...)
Show SMILES Oc1ccc(O)c(c1)C(=O)\C=C\c1ccc(O)c(O)c1
Show InChI InChI=1S/C15H12O5/c16-10-3-6-13(18)11(8-10)12(17)4-1-9-2-5-14(19)15(20)7-9/h1-8,16,18-20H/b4-1+
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n/an/a 64n/an/an/an/an/an/a



Tokushima Bunri University

Curated by ChEMBL


Assay Description
In vitro inhibition against 5-lipoxygenase in RBL-1 cells was determined


J Med Chem 36: 3904-9 (1994)


Article DOI: 10.1021/jm00076a019
BindingDB Entry DOI: 10.7270/Q2MS3RT4
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
BDBM50042968
PNG
(3-(3,4-Dihydroxy-phenyl)-1-(2,5-dimethoxy-phenyl)-...)
Show SMILES COc1ccc(OC)c(c1)C(=O)\C=C\c1ccc(O)c(O)c1
Show InChI InChI=1S/C17H16O5/c1-21-12-5-8-17(22-2)13(10-12)14(18)6-3-11-4-7-15(19)16(20)9-11/h3-10,19-20H,1-2H3/b6-3+
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n/an/a 7.80n/an/an/an/an/an/a



Tokushima Bunri University

Curated by ChEMBL


Assay Description
In vitro inhibition against 5-lipoxygenase in RBL-1 cells was determined


J Med Chem 36: 3904-9 (1994)


Article DOI: 10.1021/jm00076a019
BindingDB Entry DOI: 10.7270/Q2MS3RT4
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
BDBM50042976
PNG
((E)-3-Phenyl-1-(2,4,6-trihydroxy-phenyl)-propenone...)
Show SMILES Oc1cc(O)c(C(=O)\C=C\c2ccccc2)c(O)c1
Show InChI InChI=1S/C15H12O4/c16-11-8-13(18)15(14(19)9-11)12(17)7-6-10-4-2-1-3-5-10/h1-9,16,18-19H/b7-6+
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n/an/a 1.40E+5n/an/an/an/an/an/a



Tokushima Bunri University

Curated by ChEMBL


Assay Description
In vitro inhibition against 5-lipoxygenase in RBL-1 cells was determined


J Med Chem 36: 3904-9 (1994)


Article DOI: 10.1021/jm00076a019
BindingDB Entry DOI: 10.7270/Q2MS3RT4
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
BDBM50042979
PNG
(3-(3,4-Dihydroxy-phenyl)-1-(3-hydroxy-phenyl)-prop...)
Show SMILES Oc1cccc(c1)C(=O)\C=C\c1ccc(O)c(O)c1
Show InChI InChI=1S/C15H12O4/c16-12-3-1-2-11(9-12)13(17)6-4-10-5-7-14(18)15(19)8-10/h1-9,16,18-19H/b6-4+
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n/an/a 4.20n/an/an/an/an/an/a



Tokushima Bunri University

Curated by ChEMBL


Assay Description
In vitro inhibition against 5-lipoxygenase in RBL-1 cells was determined


J Med Chem 36: 3904-9 (1994)


Article DOI: 10.1021/jm00076a019
BindingDB Entry DOI: 10.7270/Q2MS3RT4
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
BDBM50042972
PNG
(3-(3,4-Dihydroxy-phenyl)-1-(2-hydroxy-4-methoxy-ph...)
Show SMILES COc1ccc(C(=O)\C=C\c2ccc(O)c(O)c2)c(O)c1
Show InChI InChI=1S/C16H14O5/c1-21-11-4-5-12(15(19)9-11)13(17)6-2-10-3-7-14(18)16(20)8-10/h2-9,18-20H,1H3/b6-2+
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n/an/a 15n/an/an/an/an/an/a



Tokushima Bunri University

Curated by ChEMBL


Assay Description
In vitro inhibition against 5-lipoxygenase in RBL-1 cells was determined


J Med Chem 36: 3904-9 (1994)


Article DOI: 10.1021/jm00076a019
BindingDB Entry DOI: 10.7270/Q2MS3RT4
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
BDBM50042982
PNG
(2',3,4-trihydroxychalcone | 3-(3,4-Dihydroxy-pheny...)
Show SMILES Oc1ccc(\C=C\C(=O)c2ccccc2O)cc1O
Show InChI InChI=1S/C15H12O4/c16-12-4-2-1-3-11(12)13(17)7-5-10-6-8-14(18)15(19)9-10/h1-9,16,18-19H/b7-5+
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n/an/a 23n/an/an/an/an/an/a



Tokushima Bunri University

Curated by ChEMBL


Assay Description
In vitro inhibition against 5-lipoxygenase in RBL-1 cells was determined


J Med Chem 36: 3904-9 (1994)


Article DOI: 10.1021/jm00076a019
BindingDB Entry DOI: 10.7270/Q2MS3RT4
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
BDBM50042987
PNG
((E)-1-(2,4-Dihydroxy-phenyl)-3-phenyl-propenone | ...)
Show SMILES Oc1ccc(C(=O)\C=C\c2ccccc2)c(O)c1
Show InChI InChI=1S/C15H12O3/c16-12-7-8-13(15(18)10-12)14(17)9-6-11-4-2-1-3-5-11/h1-10,16,18H/b9-6+
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n/an/a 4.00E+5n/an/an/an/an/an/a



Tokushima Bunri University

Curated by ChEMBL


Assay Description
In vitro inhibition against 5-lipoxygenase in RBL-1 cells was determined


J Med Chem 36: 3904-9 (1994)


Article DOI: 10.1021/jm00076a019
BindingDB Entry DOI: 10.7270/Q2MS3RT4
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
BDBM50042956
PNG
(3-(3,4-Dihydroxy-phenyl)-1-(2-hydroxy-5-methoxy-ph...)
Show SMILES COc1ccc(O)c(c1)C(=O)\C=C\c1ccc(O)c(O)c1
Show InChI InChI=1S/C16H14O5/c1-21-11-4-7-14(18)12(9-11)13(17)5-2-10-3-6-15(19)16(20)8-10/h2-9,18-20H,1H3/b5-2+
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n/an/a 41n/an/an/an/an/an/a



Tokushima Bunri University

Curated by ChEMBL


Assay Description
In vitro inhibition against 5-lipoxygenase in RBL-1 cells was determined


J Med Chem 36: 3904-9 (1994)


Article DOI: 10.1021/jm00076a019
BindingDB Entry DOI: 10.7270/Q2MS3RT4
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
BDBM50042949
PNG
((E)-1-(2,4-dihydroxyphenyl)-3-(3,4-dihydroxyphenyl...)
Show SMILES Oc1ccc(C(=O)\C=C\c2ccc(O)c(O)c2)c(O)c1
Show InChI InChI=1S/C15H12O5/c16-10-3-4-11(14(19)8-10)12(17)5-1-9-2-6-13(18)15(20)7-9/h1-8,16,18-20H/b5-1+
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n/an/a 4.60n/an/an/an/an/an/a



Tokushima Bunri University

Curated by ChEMBL


Assay Description
In vitro inhibition against 5-lipoxygenase in RBL-1 cells was determined


J Med Chem 36: 3904-9 (1994)


Article DOI: 10.1021/jm00076a019
BindingDB Entry DOI: 10.7270/Q2MS3RT4
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
BDBM50042993
PNG
((2E)-3-(4-hydroxyphenyl)-1-(2,4,6-trihydroxyphenyl...)
Show SMILES Oc1ccc(\C=C\C(=O)c2c(O)cc(O)cc2O)cc1
Show InChI InChI=1S/C15H12O5/c16-10-4-1-9(2-5-10)3-6-12(18)15-13(19)7-11(17)8-14(15)20/h1-8,16-17,19-20H/b6-3+
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n/an/a 1.00E+5n/an/an/an/an/an/a



Tokushima Bunri University

Curated by ChEMBL


Assay Description
In vitro inhibition against 5-lipoxygenase in RBL-1 cells was determined


J Med Chem 36: 3904-9 (1994)


Article DOI: 10.1021/jm00076a019
BindingDB Entry DOI: 10.7270/Q2MS3RT4
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
BDBM50042994
PNG
((2E)-3-(3,4-dihydroxyphenyl)-1-(2,4,6-trihydroxyph...)
Show SMILES Oc1cc(O)c(C(=O)\C=C\c2ccc(O)c(O)c2)c(O)c1
Show InChI InChI=1S/C15H12O6/c16-9-6-13(20)15(14(21)7-9)11(18)4-2-8-1-3-10(17)12(19)5-8/h1-7,16-17,19-21H/b4-2+
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n/an/a 140n/an/an/an/an/an/a



Tokushima Bunri University

Curated by ChEMBL


Assay Description
In vitro inhibition against 5-lipoxygenase in RBL-1 cells was determined


J Med Chem 36: 3904-9 (1994)


Article DOI: 10.1021/jm00076a019
BindingDB Entry DOI: 10.7270/Q2MS3RT4
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Oryctolagus cuniculus)
BDBM50042949
PNG
((E)-1-(2,4-dihydroxyphenyl)-3-(3,4-dihydroxyphenyl...)
Show SMILES Oc1ccc(C(=O)\C=C\c2ccc(O)c(O)c2)c(O)c1
Show InChI InChI=1S/C15H12O5/c16-10-3-4-11(14(19)8-10)12(17)5-1-9-2-6-13(18)15(20)7-9/h1-8,16,18-20H/b5-1+
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n/an/a 7.30E+8n/an/an/an/an/an/a



CSIR-Indian Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of rabbit lung ACE assessed as inhibition of hippuryl-histidyl-leucine substrate hydrolysis pretreated for 10 mins followed by addition of...


Eur J Med Chem 83: 344-54 (2014)


Article DOI: 10.1016/j.ejmech.2014.06.035
BindingDB Entry DOI: 10.7270/Q2CZ38R0
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-7 subunit


(Homo sapiens (Human))
BDBM50042944
PNG
((E)-1-(2,4-Dihydroxy-phenyl)-3-(4-hydroxy-phenyl)-...)
Show SMILES Oc1ccc(\C=C\C(=O)c2ccc(O)cc2O)cc1
Show InChI InChI=1S/C15H12O4/c16-11-4-1-10(2-5-11)3-8-14(18)13-7-6-12(17)9-15(13)19/h1-9,16-17,19H/b8-3+
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n/an/an/an/a 1.16E+4n/an/an/an/a



Instituto de Qu£mica M£dica (IQM-CSIC)

Curated by ChEMBL


Assay Description
Positive allosteric modulation at human alpha7 nACHR expressed in Xenopus oocyte assessed as potentiation of 200 uM ACh-induced current at holding po...


Eur J Med Chem 86: 724-39 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.039
BindingDB Entry DOI: 10.7270/Q2PN977T
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-7 subunit


(Homo sapiens (Human))
BDBM50042993
PNG
((2E)-3-(4-hydroxyphenyl)-1-(2,4,6-trihydroxyphenyl...)
Show SMILES Oc1ccc(\C=C\C(=O)c2c(O)cc(O)cc2O)cc1
Show InChI InChI=1S/C15H12O5/c16-10-4-1-9(2-5-10)3-6-12(18)15-13(19)7-11(17)8-14(15)20/h1-8,16-17,19-20H/b6-3+
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n/an/an/an/a 4.00E+3n/an/an/an/a



Instituto de Qu£mica M£dica (IQM-CSIC)

Curated by ChEMBL


Assay Description
Positive allosteric modulation at human alpha7 nACHR expressed in Xenopus oocyte assessed as potentiation of 200 uM ACh-induced current at holding po...


Eur J Med Chem 86: 724-39 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.039
BindingDB Entry DOI: 10.7270/Q2PN977T
More data for this
Ligand-Target Pair
Tubulin beta-1 chain


(Homo sapiens (Human))
BDBM50159293
PNG
((E)-3-(3,4,5-Trihydroxy-phenyl)-1-(2,3,4-trimethox...)
Show SMILES COc1ccc(C(=O)\C=C\c2cc(O)c(O)c(O)c2)c(OC)c1OC
Show InChI InChI=1S/C18H18O7/c1-23-15-7-5-11(17(24-2)18(15)25-3)12(19)6-4-10-8-13(20)16(22)14(21)9-10/h4-9,20-22H,1-3H3/b6-4+
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Salford

Curated by ChEMBL


Assay Description
Concentration required for 50% inhibition of tubulin polymerization


J Med Chem 48: 457-65 (2005)


Article DOI: 10.1021/jm049444m
BindingDB Entry DOI: 10.7270/Q2416WKV
More data for this
Ligand-Target Pair
Tubulin beta-1 chain


(Homo sapiens (Human))
BDBM50159295
PNG
((E)-3-(3''-Hydroxy-4''-methoxyphenyl)-1-(20,30,40-...)
Show SMILES COc1ccc(\C=C\C(=O)c2ccc(OC)c(OC)c2OC)cc1O
Show InChI InChI=1S/C19H20O6/c1-22-16-9-6-12(11-15(16)21)5-8-14(20)13-7-10-17(23-2)19(25-4)18(13)24-3/h5-11,21H,1-4H3/b8-5+
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n/an/a 450n/an/an/an/an/an/a



University of Salford

Curated by ChEMBL


Assay Description
Concentration required for 50% inhibition of tubulin polymerization


J Med Chem 48: 457-65 (2005)


Article DOI: 10.1021/jm049444m
BindingDB Entry DOI: 10.7270/Q2416WKV
More data for this
Ligand-Target Pair
Telomerase reverse transcriptase


(Homo sapiens (Human))
BDBM50157562
PNG
(1,3-bis(3,4-dihydroxyphenyl)prop-2-en-1-one | 3,3'...)
Show SMILES Oc1ccc(\C=C\C(=O)c2ccc(O)c(O)c2)cc1O
Show InChI InChI=1S/C15H12O5/c16-11(10-3-6-13(18)15(20)8-10)4-1-9-2-5-12(17)14(19)7-9/h1-8,17-20H/b4-1+
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n/an/a 1.70E+3n/an/an/an/an/an/a



BU-Nerviano Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of human telomerase from HEK293 cell extracts by Flash-Plate assay


J Med Chem 47: 6466-75 (2004)


Article DOI: 10.1021/jm040810b
BindingDB Entry DOI: 10.7270/Q2P55N1R
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50042949
PNG
((E)-1-(2,4-dihydroxyphenyl)-3-(3,4-dihydroxyphenyl...)
Show SMILES Oc1ccc(C(=O)\C=C\c2ccc(O)c(O)c2)c(O)c1
Show InChI InChI=1S/C15H12O5/c16-10-3-4-11(14(19)8-10)12(17)5-1-9-2-6-13(18)15(20)7-9/h1-8,16,18-20H/b5-1+
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n/an/a 8.00E+3n/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of EGFR


J Nat Prod 69: 14-7 (2006)


Article DOI: 10.1021/np050229y
BindingDB Entry DOI: 10.7270/Q2FJ2GHF
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50042949
PNG
((E)-1-(2,4-dihydroxyphenyl)-3-(3,4-dihydroxyphenyl...)
Show SMILES Oc1ccc(C(=O)\C=C\c2ccc(O)c(O)c2)c(O)c1
Show InChI InChI=1S/C15H12O5/c16-10-3-4-11(14(19)8-10)12(17)5-1-9-2-6-13(18)15(20)7-9/h1-8,16,18-20H/b5-1+
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n/an/a 6.50E+4n/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of c-Src


J Nat Prod 69: 14-7 (2006)


Article DOI: 10.1021/np050229y
BindingDB Entry DOI: 10.7270/Q2FJ2GHF
More data for this
Ligand-Target Pair
Tyrosinase


(Agaricus bisporus (Common mushroom))
BDBM50042976
PNG
((E)-3-Phenyl-1-(2,4,6-trihydroxy-phenyl)-propenone...)
Show SMILES Oc1cc(O)c(C(=O)\C=C\c2ccccc2)c(O)c1
Show InChI InChI=1S/C15H12O4/c16-11-8-13(18)15(14(19)9-11)12(17)7-6-10-4-2-1-3-5-10/h1-9,16,18-19H/b7-6+
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n/an/a 1.20E+5n/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase


Bioorg Med Chem 15: 2396-402 (2007)


Article DOI: 10.1016/j.bmc.2007.01.017
BindingDB Entry DOI: 10.7270/Q2R78DWH
More data for this
Ligand-Target Pair
Xanthine dehydrogenase


(Bos taurus (Bovine))
BDBM50042966
PNG
(3-(3,4-Dihydroxy-phenyl)-1-(2,5-dihydroxy-phenyl)-...)
Show SMILES Oc1ccc(O)c(c1)C(=O)\C=C\c1ccc(O)c(O)c1
Show InChI InChI=1S/C15H12O5/c16-10-3-6-13(18)11(8-10)12(17)4-1-9-2-5-14(19)15(20)7-9/h1-8,16,18-20H/b4-1+
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n/an/a 1.70E+4n/an/an/an/an/an/a



Northern Kentucky University

Curated by ChEMBL


Assay Description
Inhibition of bovine xanthine oxidase assessed as conversion of xanthine to uric acid by spectroscopic analysis


Bioorg Med Chem 24: 578-87 (2016)


Article DOI: 10.1016/j.bmc.2015.12.024
BindingDB Entry DOI: 10.7270/Q23F4RJT
More data for this
Ligand-Target Pair
Xanthine dehydrogenase


(Bos taurus (Bovine))
BDBM50157562
PNG
(1,3-bis(3,4-dihydroxyphenyl)prop-2-en-1-one | 3,3'...)
Show SMILES Oc1ccc(\C=C\C(=O)c2ccc(O)c(O)c2)cc1O
Show InChI InChI=1S/C15H12O5/c16-11(10-3-6-13(18)15(20)8-10)4-1-9-2-5-12(17)14(19)7-9/h1-8,17-20H/b4-1+
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n/an/a 3.00E+3n/an/an/an/an/an/a



Northern Kentucky University

Curated by ChEMBL


Assay Description
Inhibition of bovine xanthine oxidase assessed as conversion of xanthine to uric acid by spectroscopic analysis


Bioorg Med Chem 24: 578-87 (2016)


Article DOI: 10.1016/j.bmc.2015.12.024
BindingDB Entry DOI: 10.7270/Q23F4RJT
More data for this
Ligand-Target Pair
Xanthine dehydrogenase


(Bos taurus (Bovine))
BDBM50042949
PNG
((E)-1-(2,4-dihydroxyphenyl)-3-(3,4-dihydroxyphenyl...)
Show SMILES Oc1ccc(C(=O)\C=C\c2ccc(O)c(O)c2)c(O)c1
Show InChI InChI=1S/C15H12O5/c16-10-3-4-11(14(19)8-10)12(17)5-1-9-2-6-13(18)15(20)7-9/h1-8,16,18-20H/b5-1+
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n/an/a 1.30E+3n/an/an/an/an/an/a



Northern Kentucky University

Curated by ChEMBL


Assay Description
Inhibition of bovine xanthine oxidase assessed as conversion of xanthine to uric acid by spectroscopic analysis


Bioorg Med Chem 24: 578-87 (2016)


Article DOI: 10.1016/j.bmc.2015.12.024
BindingDB Entry DOI: 10.7270/Q23F4RJT
More data for this
Ligand-Target Pair
Xanthine dehydrogenase


(Bos taurus (Bovine))
BDBM50042979
PNG
(3-(3,4-Dihydroxy-phenyl)-1-(3-hydroxy-phenyl)-prop...)
Show SMILES Oc1cccc(c1)C(=O)\C=C\c1ccc(O)c(O)c1
Show InChI InChI=1S/C15H12O4/c16-12-3-1-2-11(9-12)13(17)6-4-10-5-7-14(18)15(19)8-10/h1-9,16,18-19H/b6-4+
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n/an/a 5.30E+3n/an/an/an/an/an/a



Northern Kentucky University

Curated by ChEMBL


Assay Description
Inhibition of bovine xanthine oxidase assessed as conversion of xanthine to uric acid by spectroscopic analysis


Bioorg Med Chem 24: 578-87 (2016)


Article DOI: 10.1016/j.bmc.2015.12.024
BindingDB Entry DOI: 10.7270/Q23F4RJT
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Oryctolagus cuniculus)
BDBM50042949
PNG
((E)-1-(2,4-dihydroxyphenyl)-3-(3,4-dihydroxyphenyl...)
Show SMILES Oc1ccc(C(=O)\C=C\c2ccc(O)c(O)c2)c(O)c1
Show InChI InChI=1S/C15H12O5/c16-10-3-4-11(14(19)8-10)12(17)5-1-9-2-6-13(18)15(20)7-9/h1-8,16,18-20H/b5-1+
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n/an/a 730n/an/an/an/an/an/a



University of Calabria

Curated by ChEMBL


Assay Description
Inhibition of ACE in rabbit lung assessed as decrease in dansylglycine concentration after 5 mins by HPLC analysis


Bioorg Med Chem Lett 20: 1990-3 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.113
BindingDB Entry DOI: 10.7270/Q2G73DW4
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Oryctolagus cuniculus)
BDBM50042949
PNG
((E)-1-(2,4-dihydroxyphenyl)-3-(3,4-dihydroxyphenyl...)
Show SMILES Oc1ccc(C(=O)\C=C\c2ccc(O)c(O)c2)c(O)c1
Show InChI InChI=1S/C15H12O5/c16-10-3-4-11(14(19)8-10)12(17)5-1-9-2-6-13(18)15(20)7-9/h1-8,16,18-20H/b5-1+
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n/an/a 7.30E+5n/an/an/an/an/an/a



India Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of rabbit lung ACE assessed as reduction in hippuryl-histidyl-leucine substrate by colorimetric assay


Bioorg Med Chem 19: 4772-81 (2011)


Article DOI: 10.1016/j.bmc.2011.06.085
BindingDB Entry DOI: 10.7270/Q27M089B
More data for this
Ligand-Target Pair
Aldose reductase (AR)


(Homo sapiens (Human))
BDBM50042944
PNG
((E)-1-(2,4-Dihydroxy-phenyl)-3-(4-hydroxy-phenyl)-...)
Show SMILES Oc1ccc(\C=C\C(=O)c2ccc(O)cc2O)cc1
Show InChI InChI=1S/C15H12O4/c16-11-4-1-10(2-5-11)3-8-14(18)13-7-6-12(17)9-15(13)19/h1-9,16-17,19H/b8-3+
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n/an/a 320n/an/an/an/an/an/a



King's College London

Curated by ChEMBL


Assay Description
Inhibition of human recombinant aldose reductase using D-glyceraldehyde as substrate preincubated for 10 mins before substrate addition measured for ...


Bioorg Med Chem 20: 1251-8 (2012)


Article DOI: 10.1016/j.bmc.2011.12.033
BindingDB Entry DOI: 10.7270/Q2639Q5V
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
BDBM50042944
PNG
((E)-1-(2,4-Dihydroxy-phenyl)-3-(4-hydroxy-phenyl)-...)
Show SMILES Oc1ccc(\C=C\C(=O)c2ccc(O)cc2O)cc1
Show InChI InChI=1S/C15H12O4/c16-11-4-1-10(2-5-11)3-8-14(18)13-7-6-12(17)9-15(13)19/h1-9,16-17,19H/b8-3+
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n/an/a>1.00E+5n/an/an/an/an/an/a



Sapienza University of Rome

Curated by ChEMBL


Assay Description
Compound concentration required to reduce HIV-1 Integrase 3'-processing activity by 50%


J Med Chem 41: 3948-60 (1998)


Article DOI: 10.1021/jm9707232
BindingDB Entry DOI: 10.7270/Q29024G3
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
BDBM50042949
PNG
((E)-1-(2,4-dihydroxyphenyl)-3-(3,4-dihydroxyphenyl...)
Show SMILES Oc1ccc(C(=O)\C=C\c2ccc(O)c(O)c2)c(O)c1
Show InChI InChI=1S/C15H12O5/c16-10-3-4-11(14(19)8-10)12(17)5-1-9-2-6-13(18)15(20)7-9/h1-8,16,18-20H/b5-1+
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n/an/a 2.00E+4n/an/an/an/an/an/a



Sapienza University of Rome

Curated by ChEMBL


Assay Description
Compound concentration required to reduce HIV-1 Integrase 3'-processing activity by 50%


J Med Chem 41: 3948-60 (1998)


Article DOI: 10.1021/jm9707232
BindingDB Entry DOI: 10.7270/Q29024G3
More data for this
Ligand-Target Pair
Enoyl-acyl-carrier protein reductase


(Plasmodium falciparum)
BDBM50042949
PNG
((E)-1-(2,4-dihydroxyphenyl)-3-(3,4-dihydroxyphenyl...)
Show SMILES Oc1ccc(C(=O)\C=C\c2ccc(O)c(O)c2)c(O)c1
Show InChI InChI=1S/C15H12O5/c16-10-3-4-11(14(19)8-10)12(17)5-1-9-2-6-13(18)15(20)7-9/h1-8,16,18-20H/b5-1+
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n/an/a 1.25E+4n/an/an/an/an/an/a



National Institute of Immunology

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum ENR


J Med Chem 50: 765-75 (2007)


Article DOI: 10.1021/jm061154d
BindingDB Entry DOI: 10.7270/Q2QJ7J4Q
More data for this
Ligand-Target Pair
Enoyl-ACP Reductase (FabI)


(Escherichia coli)
BDBM50042949
PNG
((E)-1-(2,4-dihydroxyphenyl)-3-(3,4-dihydroxyphenyl...)
Show SMILES Oc1ccc(C(=O)\C=C\c2ccc(O)c(O)c2)c(O)c1
Show InChI InChI=1S/C15H12O5/c16-10-3-4-11(14(19)8-10)12(17)5-1-9-2-6-13(18)15(20)7-9/h1-8,16,18-20H/b5-1+
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n/an/a 3.00E+4n/an/an/an/an/an/a



National Institute of Immunology

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli ENR


J Med Chem 50: 765-75 (2007)


Article DOI: 10.1021/jm061154d
BindingDB Entry DOI: 10.7270/Q2QJ7J4Q
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
BDBM50042994
PNG
((2E)-3-(3,4-dihydroxyphenyl)-1-(2,4,6-trihydroxyph...)
Show SMILES Oc1cc(O)c(C(=O)\C=C\c2ccc(O)c(O)c2)c(O)c1
Show InChI InChI=1S/C15H12O6/c16-9-6-13(20)15(14(21)7-9)11(18)4-2-8-1-3-10(17)12(19)5-8/h1-7,16-17,19-21H/b4-2+
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n/an/a 140n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of 5-lipoxygenase in rat RBL1 cells


Citation and Details

Article DOI: 10.1007/s00044-013-0745-7
BindingDB Entry DOI: 10.7270/Q22N53QB
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
BDBM50042949
PNG
((E)-1-(2,4-dihydroxyphenyl)-3-(3,4-dihydroxyphenyl...)
Show SMILES Oc1ccc(C(=O)\C=C\c2ccc(O)c(O)c2)c(O)c1
Show InChI InChI=1S/C15H12O5/c16-10-3-4-11(14(19)8-10)12(17)5-1-9-2-6-13(18)15(20)7-9/h1-8,16,18-20H/b5-1+
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n/an/a 4.60n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of 5-lipoxygenase in rat RBL1 cells


Citation and Details

Article DOI: 10.1007/s00044-013-0745-7
BindingDB Entry DOI: 10.7270/Q22N53QB
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
BDBM50042979
PNG
(3-(3,4-Dihydroxy-phenyl)-1-(3-hydroxy-phenyl)-prop...)
Show SMILES Oc1cccc(c1)C(=O)\C=C\c1ccc(O)c(O)c1
Show InChI InChI=1S/C15H12O4/c16-12-3-1-2-11(9-12)13(17)6-4-10-5-7-14(18)15(19)8-10/h1-9,16,18-19H/b6-4+
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n/an/a 4.20n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of 5-lipoxygenase in rat RBL1 cells


Citation and Details

Article DOI: 10.1007/s00044-013-0745-7
BindingDB Entry DOI: 10.7270/Q22N53QB
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
BDBM50042982
PNG
(2',3,4-trihydroxychalcone | 3-(3,4-Dihydroxy-pheny...)
Show SMILES Oc1ccc(\C=C\C(=O)c2ccccc2O)cc1O
Show InChI InChI=1S/C15H12O4/c16-12-4-2-1-3-11(12)13(17)7-5-10-6-8-14(18)15(19)9-10/h1-9,16,18-19H/b7-5+
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n/an/a 23n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of 5-lipoxygenase in rat RBL1 cells


Citation and Details

Article DOI: 10.1007/s00044-013-0745-7
BindingDB Entry DOI: 10.7270/Q22N53QB
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
BDBM50042993
PNG
((2E)-3-(4-hydroxyphenyl)-1-(2,4,6-trihydroxyphenyl...)
Show SMILES Oc1ccc(\C=C\C(=O)c2c(O)cc(O)cc2O)cc1
Show InChI InChI=1S/C15H12O5/c16-10-4-1-9(2-5-10)3-6-12(18)15-13(19)7-11(17)8-14(15)20/h1-8,16-17,19-20H/b6-3+
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n/an/a 1.00E+5n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of 5-lipoxygenase in rat RBL1 cells


Citation and Details

Article DOI: 10.1007/s00044-013-0745-7
BindingDB Entry DOI: 10.7270/Q22N53QB
More data for this
Ligand-Target Pair
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