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28 similar compounds to monomer 46146

Compile data set for download or QSAR
Wt: 280.4
BDBM22231
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Wt: 279.4
BDBM22336
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Wt: 320.4
BDBM85695
Wt: 226.3
BDBM92782
Wt: 254.4
BDBM92783
Wt: 254.4
BDBM92784
Wt: 254.4
BDBM92785
Wt: 282.4
BDBM50150484
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Wt: 278.4
BDBM50240347
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Wt: 406.6
BDBM50250903
Wt: 282.4
BDBM50250904
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Wt: 330.5
BDBM50269224
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Wt: 226.3
BDBM50269530
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Wt: 254.4
BDBM50269531
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Wt: 278.4
BDBM50269532
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Displayed 1 to 15 (of 28 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 87 hits for monomerid = 22231,22336,85695,92782,92783,92784,92785,50150484,50240347,50250903,50250904,50269224,50269530,50269531,50269532   
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
Liver fatty acid binding protein (rat L-FABP)


(Rattus norvegicus (Rat))
BDBM50150484
PNG
((Z)-9-octadecenoic acid | (Z)-Octadec-9-enoic acid...)
Show SMILES CCCCCCCC\C=C/CCCCCCCC(O)=O
Show InChI InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-8,11-17H2,1H3,(H,19,20)/b10-9-
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180n/an/an/an/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Displacement of 1-anilinonaphthalene-8-sulphonic acid from rat recombinant L-FABP high binding affinity site expressed in Escherichia coli BL21 by co...


J Med Chem 51: 3755-64 (2008)


Article DOI: 10.1021/jm701192w
BindingDB Entry DOI: 10.7270/Q2KH0P7G
More data for this
Ligand-Target Pair
Fatty acid-binding protein 4 (FABP4)


(Homo sapiens (Human))
BDBM50150484
PNG
((Z)-9-octadecenoic acid | (Z)-Octadec-9-enoic acid...)
Show SMILES CCCCCCCC\C=C/CCCCCCCC(O)=O
Show InChI InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-8,11-17H2,1H3,(H,19,20)/b10-9-
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185n/an/an/an/an/an/an/an/a



Bristol Myers-Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Displacement of 1,8-ANS from aFABP by fluorescence based-assay


Bioorg Med Chem Lett 17: 3511-5 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.044
BindingDB Entry DOI: 10.7270/Q24B3119
More data for this
Ligand-Target Pair
Fatty acid-binding protein 5 (FABP5)


(Homo sapiens (Human))
BDBM50150484
PNG
((Z)-9-octadecenoic acid | (Z)-Octadec-9-enoic acid...)
Show SMILES CCCCCCCC\C=C/CCCCCCCC(O)=O
Show InChI InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-8,11-17H2,1H3,(H,19,20)/b10-9-
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248n/an/an/an/an/an/an/an/a



Bristol Myers-Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Displacement of 1,8-ANS from eFABP by fluorescence based-assay


Bioorg Med Chem Lett 17: 3511-5 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.044
BindingDB Entry DOI: 10.7270/Q24B3119
More data for this
Ligand-Target Pair
Leukotriene 2


(Homo sapiens (Human))
BDBM85695
PNG
(CAS_5283157 | HETE-20 | NSC_5283157)
Show SMILES OCCCCCC=CCC=CCC=CCC=CCCCC(O)=O
Show InChI InChI=1S/C20H32O3/c21-19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20(22)23/h1,3-4,6-7,9-10,12,21H,2,5,8,11,13-19H2,(H,22,23)/b3-1+,6-4+,9-7+,12-10+
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1.00E+3n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by PDSP Ki Database




J Biol Chem 275: 40686-94 (2000)


Article DOI: 10.1074/jbc.M004512200
BindingDB Entry DOI: 10.7270/Q2XD1066
More data for this
Ligand-Target Pair
Fatty acid-binding protein 5 (FABP5)


(Homo sapiens (Human))
BDBM22231
PNG
((9Z,12Z)-octadeca-9,12-dienoic acid | CHEMBL267476...)
Show SMILES CCCCC\C=C/C\C=C/CCCCCCCC(O)=O
Show InChI InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10H,2-5,8,11-17H2,1H3,(H,19,20)/b7-6-,10-9-
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1.26E+3 -8.18n/an/an/an/an/a8.230



Emory University School of Medicine



Assay Description
In brief, both wild-type and mutant hFABP5 were expressed and purified to homogeneity as described above and dialyzed in PBS (pH 8.2). Binding affini...


J Biol Chem 289: 14941-54 (2014)


Article DOI: 10.1074/jbc.M113.514646
BindingDB Entry DOI: 10.7270/Q21835CT
More data for this
Ligand-Target Pair
Fatty acid-binding protein 5 (FABP5)


(Homo sapiens (Human))
BDBM50269531
PNG
((9Z)-hexadec-9-enoic acid | (Z)-9-hexadecenoic aci...)
Show SMILES CCCCCC\C=C/CCCCCCCC(O)=O
Show InChI InChI=1S/C16H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h7-8H,2-6,9-15H2,1H3,(H,17,18)/b8-7-
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1.36E+3 -8.13n/an/an/an/an/a8.230



Emory University School of Medicine



Assay Description
In brief, both wild-type and mutant hFABP5 were expressed and purified to homogeneity as described above and dialyzed in PBS (pH 8.2). Binding affini...


J Biol Chem 289: 14941-54 (2014)


Article DOI: 10.1074/jbc.M113.514646
BindingDB Entry DOI: 10.7270/Q21835CT
More data for this
Ligand-Target Pair
Fatty acid-binding protein 4 (FABP4)


(Homo sapiens (Human))
BDBM50150484
PNG
((Z)-9-octadecenoic acid | (Z)-Octadec-9-enoic acid...)
Show SMILES CCCCCCCC\C=C/CCCCCCCC(O)=O
Show InChI InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-8,11-17H2,1H3,(H,19,20)/b10-9-
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1.50E+3n/an/an/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of 1,8-ANS from His6-tagged FABP4 (unknown origin) expressed in Escherichia coli BL21(DE3) cells by fluorescence assay


Bioorg Med Chem 24: 4310-4317 (2016)


Article DOI: 10.1016/j.bmc.2016.07.022
BindingDB Entry DOI: 10.7270/Q2NC634M
More data for this
Ligand-Target Pair
Fatty acid-binding protein 5 (FABP5)(NLSm)


(Homo sapiens (Human))
BDBM50269531
PNG
((9Z)-hexadec-9-enoic acid | (Z)-9-hexadecenoic aci...)
Show SMILES CCCCCC\C=C/CCCCCCCC(O)=O
Show InChI InChI=1S/C16H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h7-8H,2-6,9-15H2,1H3,(H,17,18)/b8-7-
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1.64E+3 -8.02n/an/an/an/an/a8.230



Emory University School of Medicine



Assay Description
In brief, both wild-type and mutant hFABP5 were expressed and purified to homogeneity as described above and dialyzed in PBS (pH 8.2). Binding affini...


J Biol Chem 289: 14941-54 (2014)


Article DOI: 10.1074/jbc.M113.514646
BindingDB Entry DOI: 10.7270/Q21835CT
More data for this
Ligand-Target Pair
Fatty acid-binding protein 5 (FABP5)(DSm)


(Homo sapiens (Human))
BDBM50269531
PNG
((9Z)-hexadec-9-enoic acid | (Z)-9-hexadecenoic aci...)
Show SMILES CCCCCC\C=C/CCCCCCCC(O)=O
Show InChI InChI=1S/C16H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h7-8H,2-6,9-15H2,1H3,(H,17,18)/b8-7-
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1.78E+3 -7.97n/an/an/an/an/a8.230



Emory University School of Medicine



Assay Description
In brief, both wild-type and mutant hFABP5 were expressed and purified to homogeneity as described above and dialyzed in PBS (pH 8.2). Binding affini...


J Biol Chem 289: 14941-54 (2014)


Article DOI: 10.1074/jbc.M113.514646
BindingDB Entry DOI: 10.7270/Q21835CT
More data for this
Ligand-Target Pair
Fatty acid-binding protein 5 (FABP5)(NLSm)


(Homo sapiens (Human))
BDBM22231
PNG
((9Z,12Z)-octadeca-9,12-dienoic acid | CHEMBL267476...)
Show SMILES CCCCC\C=C/C\C=C/CCCCCCCC(O)=O
Show InChI InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10H,2-5,8,11-17H2,1H3,(H,19,20)/b7-6-,10-9-
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2.17E+3 -7.85n/an/an/an/an/a8.230



Emory University School of Medicine



Assay Description
In brief, both wild-type and mutant hFABP5 were expressed and purified to homogeneity as described above and dialyzed in PBS (pH 8.2). Binding affini...


J Biol Chem 289: 14941-54 (2014)


Article DOI: 10.1074/jbc.M113.514646
BindingDB Entry DOI: 10.7270/Q21835CT
More data for this
Ligand-Target Pair
Liver fatty acid binding protein (rat L-FABP)


(Rattus norvegicus (Rat))
BDBM50150484
PNG
((Z)-9-octadecenoic acid | (Z)-Octadec-9-enoic acid...)
Show SMILES CCCCCCCC\C=C/CCCCCCCC(O)=O
Show InChI InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-8,11-17H2,1H3,(H,19,20)/b10-9-
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2.90E+3n/an/an/an/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Displacement of 1-anilinonaphthalene-8-sulphonic acid from rat recombinant L-FABP low binding affinity site expressed in Escherichia coli BL21 by com...


J Med Chem 51: 3755-64 (2008)


Article DOI: 10.1021/jm701192w
BindingDB Entry DOI: 10.7270/Q2KH0P7G
More data for this
Ligand-Target Pair
Fatty acid-binding protein 5 (FABP5)(DSm)


(Homo sapiens (Human))
BDBM22231
PNG
((9Z,12Z)-octadeca-9,12-dienoic acid | CHEMBL267476...)
Show SMILES CCCCC\C=C/C\C=C/CCCCCCCC(O)=O
Show InChI InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10H,2-5,8,11-17H2,1H3,(H,19,20)/b7-6-,10-9-
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3.47E+3 -7.57n/an/an/an/an/a8.230



Emory University School of Medicine



Assay Description
In brief, both wild-type and mutant hFABP5 were expressed and purified to homogeneity as described above and dialyzed in PBS (pH 8.2). Binding affini...


J Biol Chem 289: 14941-54 (2014)


Article DOI: 10.1074/jbc.M113.514646
BindingDB Entry DOI: 10.7270/Q21835CT
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM50150484
PNG
((Z)-9-octadecenoic acid | (Z)-Octadec-9-enoic acid...)
Show SMILES CCCCCCCC\C=C/CCCCCCCC(O)=O
Show InChI InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-8,11-17H2,1H3,(H,19,20)/b10-9-
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PubMed
6.00E+3n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of FAAH


J Med Chem 51: 7327-43 (2009)


Article DOI: 10.1021/jm800311k
BindingDB Entry DOI: 10.7270/Q2J67HT8
More data for this
Ligand-Target Pair
Fatty acid-binding protein 4 (FABP4)


(Homo sapiens (Human))
BDBM22231
PNG
((9Z,12Z)-octadeca-9,12-dienoic acid | CHEMBL267476...)
Show SMILES CCCCC\C=C/C\C=C/CCCCCCCC(O)=O
Show InChI InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10H,2-5,8,11-17H2,1H3,(H,19,20)/b7-6-,10-9-
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6.80E+3n/an/an/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of 1,8-ANS from His6-tagged FABP4 (unknown origin) expressed in Escherichia coli BL21(DE3) cells by fluorescence assay


Bioorg Med Chem 24: 4310-4317 (2016)


Article DOI: 10.1016/j.bmc.2016.07.022
BindingDB Entry DOI: 10.7270/Q2NC634M
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Fatty acid binding protein muscle


(Homo sapiens (Human))
BDBM22231
PNG
((9Z,12Z)-octadeca-9,12-dienoic acid | CHEMBL267476...)
Show SMILES CCCCC\C=C/C\C=C/CCCCCCCC(O)=O
Show InChI InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10H,2-5,8,11-17H2,1H3,(H,19,20)/b7-6-,10-9-
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9.30E+3n/an/an/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of 1,8-ANS from His6-tagged FABP3 (unknown origin) expressed in Escherichia coli BL21(DE3) cells by fluorescence assay


Bioorg Med Chem 24: 4310-4317 (2016)


Article DOI: 10.1016/j.bmc.2016.07.022
BindingDB Entry DOI: 10.7270/Q2NC634M
More data for this
Ligand-Target Pair
LTB4R


(Homo sapiens (Human))
BDBM85695
PNG
(CAS_5283157 | HETE-20 | NSC_5283157)
Show SMILES OCCCCCC=CCC=CCC=CCC=CCCCC(O)=O
Show InChI InChI=1S/C20H32O3/c21-19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20(22)23/h1,3-4,6-7,9-10,12,21H,2,5,8,11,13-19H2,(H,22,23)/b3-1+,6-4+,9-7+,12-10+
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>1.00E+4n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by PDSP Ki Database




J Biol Chem 275: 40686-94 (2000)


Article DOI: 10.1074/jbc.M004512200
BindingDB Entry DOI: 10.7270/Q2XD1066
More data for this
Ligand-Target Pair
Lipoxygenase-1


(Glycine max (soybean))
BDBM50150484
PNG
((Z)-9-octadecenoic acid | (Z)-Octadec-9-enoic acid...)
Show SMILES CCCCCCCC\C=C/CCCCCCCC(O)=O
Show InChI InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-8,11-17H2,1H3,(H,19,20)/b10-9-
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2.20E+4n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Binding affinity to soybean LO1


Bioorg Med Chem 17: 6534-9 (2009)


Article DOI: 10.1016/j.bmc.2009.08.005
BindingDB Entry DOI: 10.7270/Q2SQ90GP
More data for this
Ligand-Target Pair
Bcl-2-like protein 11


(Homo sapiens (Human))
BDBM50150484
PNG
((Z)-9-octadecenoic acid | (Z)-Octadec-9-enoic acid...)
Show SMILES CCCCCCCC\C=C/CCCCCCCC(O)=O
Show InChI InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-8,11-17H2,1H3,(H,19,20)/b10-9-
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PCBioAssay
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
cysteine protease ATG4B isoform a


(Homo sapiens (Human))
BDBM50240347
PNG
((9,12,15)-linolenic acid | (9Z,12Z,15Z)-octadeca-9...)
Show SMILES CC\C=C/C\C=C/C\C=C/CCCCCCCC(O)=O
Show InChI InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h3-4,6-7,9-10H,2,5,8,11-17H2,1H3,(H,19,20)/b4-3-,7-6-,10-9-
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n/an/a 1.53E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2BZ64H1
More data for this
Ligand-Target Pair
Phospholipase A2


(Homo sapiens (Human))
BDBM50240347
PNG
((9,12,15)-linolenic acid | (9Z,12Z,15Z)-octadeca-9...)
Show SMILES CC\C=C/C\C=C/C\C=C/CCCCCCCC(O)=O
Show InChI InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h3-4,6-7,9-10H,2,5,8,11-17H2,1H3,(H,19,20)/b4-3-,7-6-,10-9-
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n/an/a 2.23E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2011)


Article DOI: 10.1021/bi501197t
BindingDB Entry DOI: 10.7270/Q26M35BC
More data for this
Ligand-Target Pair
Cytochrome P450


(Thermus thermophilus)
BDBM92782
PNG
(Paslmioleic acid, 16C9)
Show SMILES CCCCC\C=C\CCCCCCC(O)=O
Show InChI InChI=1S/C14H26O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h6-7H,2-5,8-13H2,1H3,(H,15,16)/b7-6+
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n/an/an/a 8.04E+5n/an/an/an/an/a



Tata Institute of Fundamental Research



Assay Description
Inhibition assay using cytochrome P450.


Biochemistry 51: 7880-90 (2012)


Article DOI: 10.1021/bi300514j
BindingDB Entry DOI: 10.7270/Q23T9FTC
More data for this
Ligand-Target Pair
Cytochrome P450


(Thermus thermophilus)
BDBM92783
PNG
(Oleic acid, 19C9)
Show SMILES CCCCCCC\C=C\CCCCCCC(O)=O
Show InChI InChI=1S/C16H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h8-9H,2-7,10-15H2,1H3,(H,17,18)/b9-8+
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n/an/an/a 7.90E+6n/an/an/an/an/a



Tata Institute of Fundamental Research



Assay Description
Inhibition assay using cytochrome P450.


Biochemistry 51: 7880-90 (2012)


Article DOI: 10.1021/bi300514j
BindingDB Entry DOI: 10.7270/Q23T9FTC
More data for this
Ligand-Target Pair
Cytochrome P450


(Thermus thermophilus)
BDBM92784
PNG
(Petroselinic acid, 18C6)
Show SMILES CCCCCCCCCC\C=C\CCCC(O)=O
Show InChI InChI=1S/C16H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h11-12H,2-10,13-15H2,1H3,(H,17,18)/b12-11+
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n/an/an/a 1.47E+5n/an/an/an/an/a



Tata Institute of Fundamental Research



Assay Description
Inhibition assay using cytochrome P450.


Biochemistry 51: 7880-90 (2012)


Article DOI: 10.1021/bi300514j
BindingDB Entry DOI: 10.7270/Q23T9FTC
More data for this
Ligand-Target Pair
Cytochrome P450


(Thermus thermophilus)
BDBM92785
PNG
(Cis-vaccenic acid, 18C11)
Show SMILES CCCCC\C=C\CCCCCCCCC(O)=O
Show InChI InChI=1S/C16H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h6-7H,2-5,8-15H2,1H3,(H,17,18)/b7-6+
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n/an/an/a 2.05E+5n/an/an/an/an/a



Tata Institute of Fundamental Research



Assay Description
Inhibition assay using cytochrome P450.


Biochemistry 51: 7880-90 (2012)


Article DOI: 10.1021/bi300514j
BindingDB Entry DOI: 10.7270/Q23T9FTC
More data for this
Ligand-Target Pair
Steroid 5-alpha-reductase


(Homo sapiens (Human))
BDBM50269532
PNG
((6,9,12)-linolenic acid | (6Z,9Z,12Z)-octadeca-6,9...)
Show SMILES CCCCC\C=C/C\C=C/C\C=C/CCCCC(O)=O
Show InChI InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10,12-13H,2-5,8,11,14-17H2,1H3,(H,19,20)/b7-6-,10-9-,13-12-
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US Patent
n/an/a 1.40E+4n/an/an/an/an/an/a



CSIR

US Patent


Assay Description
This work was performed at the MDS Pharma Services, Pharmacology Laboratories, Taiwan. The assay was an in vitro evaluation of the ability of an extr...


US Patent US9061023 (2015)


BindingDB Entry DOI: 10.7270/Q2MC8XR2
More data for this
Ligand-Target Pair
Trypsin


(Sus scrofa)
BDBM50269532
PNG
((6,9,12)-linolenic acid | (6Z,9Z,12Z)-octadeca-6,9...)
Show SMILES CCCCC\C=C/C\C=C/C\C=C/CCCCC(O)=O
Show InChI InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10,12-13H,2-5,8,11,14-17H2,1H3,(H,19,20)/b7-6-,10-9-,13-12-
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n/an/a>2.00E+5n/an/an/an/an/an/a



Searle Discovery Research

Curated by ChEMBL


Assay Description
Inhibition of pig pancreatic trypsin after 15 mins


J Nat Prod 61: 1352-5 (1999)


Article DOI: 10.1021/np980117p
BindingDB Entry DOI: 10.7270/Q2SF2VXF
More data for this
Ligand-Target Pair
Trypsin


(Sus scrofa)
BDBM50240347
PNG
((9,12,15)-linolenic acid | (9Z,12Z,15Z)-octadeca-9...)
Show SMILES CC\C=C/C\C=C/C\C=C/CCCCCCCC(O)=O
Show InChI InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h3-4,6-7,9-10H,2,5,8,11-17H2,1H3,(H,19,20)/b4-3-,7-6-,10-9-
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n/an/a>2.00E+5n/an/an/an/an/an/a



Searle Discovery Research

Curated by ChEMBL


Assay Description
Inhibition of pig pancreatic trypsin after 15 mins


J Nat Prod 61: 1352-5 (1999)


Article DOI: 10.1021/np980117p
BindingDB Entry DOI: 10.7270/Q2SF2VXF
More data for this
Ligand-Target Pair
Trypsin


(Sus scrofa)
BDBM22231
PNG
((9Z,12Z)-octadeca-9,12-dienoic acid | CHEMBL267476...)
Show SMILES CCCCC\C=C/C\C=C/CCCCCCCC(O)=O
Show InChI InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10H,2-5,8,11-17H2,1H3,(H,19,20)/b7-6-,10-9-
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n/an/a>2.00E+5n/an/an/an/an/an/a



Searle Discovery Research

Curated by ChEMBL


Assay Description
Inhibition of pig pancreatic trypsin after 15 mins


J Nat Prod 61: 1352-5 (1999)


Article DOI: 10.1021/np980117p
BindingDB Entry DOI: 10.7270/Q2SF2VXF
More data for this
Ligand-Target Pair
Trypsin


(Sus scrofa)
BDBM50150484
PNG
((Z)-9-octadecenoic acid | (Z)-Octadec-9-enoic acid...)
Show SMILES CCCCCCCC\C=C/CCCCCCCC(O)=O
Show InChI InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-8,11-17H2,1H3,(H,19,20)/b10-9-
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n/an/a>2.00E+5n/an/an/an/an/an/a



Searle Discovery Research

Curated by ChEMBL


Assay Description
Inhibition of pig pancreatic trypsin after 15 mins


J Nat Prod 61: 1352-5 (1999)


Article DOI: 10.1021/np980117p
BindingDB Entry DOI: 10.7270/Q2SF2VXF
More data for this
Ligand-Target Pair
Trypsin


(Sus scrofa)
BDBM50269531
PNG
((9Z)-hexadec-9-enoic acid | (Z)-9-hexadecenoic aci...)
Show SMILES CCCCCC\C=C/CCCCCCCC(O)=O
Show InChI InChI=1S/C16H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h7-8H,2-6,9-15H2,1H3,(H,17,18)/b8-7-
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n/an/a>2.00E+5n/an/an/an/an/an/a



Searle Discovery Research

Curated by ChEMBL


Assay Description
Inhibition of pig pancreatic trypsin after 15 mins


J Nat Prod 61: 1352-5 (1999)


Article DOI: 10.1021/np980117p
BindingDB Entry DOI: 10.7270/Q2SF2VXF
More data for this
Ligand-Target Pair
Trypsin


(Sus scrofa)
BDBM50269530
PNG
((9Z)-tetradec-9-enoic acid | CHEMBL456732 | cis-De...)
Show SMILES CCCC\C=C/CCCCCCCC(O)=O
Show InChI InChI=1S/C14H26O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h5-6H,2-4,7-13H2,1H3,(H,15,16)/b6-5-
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n/an/a>2.00E+5n/an/an/an/an/an/a



Searle Discovery Research

Curated by ChEMBL


Assay Description
Inhibition of pig pancreatic trypsin after 15 mins


J Nat Prod 61: 1352-5 (1999)


Article DOI: 10.1021/np980117p
BindingDB Entry DOI: 10.7270/Q2SF2VXF
More data for this
Ligand-Target Pair
Coagulation factor VII/tissue factor


(Homo sapiens (Human))
BDBM50269531
PNG
((9Z)-hexadec-9-enoic acid | (Z)-9-hexadecenoic aci...)
Show SMILES CCCCCC\C=C/CCCCCCCC(O)=O
Show InChI InChI=1S/C16H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h7-8H,2-6,9-15H2,1H3,(H,17,18)/b8-7-
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PubMed
n/an/a 1.20E+5n/an/an/an/an/an/a



Searle Discovery Research

Curated by ChEMBL


Assay Description
Inhibition of amidolytic activity of human tissue factor/human factor 7a


J Nat Prod 61: 1352-5 (1999)


Article DOI: 10.1021/np980117p
BindingDB Entry DOI: 10.7270/Q2SF2VXF
More data for this
Ligand-Target Pair
Coagulation factor VII/tissue factor


(Homo sapiens (Human))
BDBM50150484
PNG
((Z)-9-octadecenoic acid | (Z)-Octadec-9-enoic acid...)
Show SMILES CCCCCCCC\C=C/CCCCCCCC(O)=O
Show InChI InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-8,11-17H2,1H3,(H,19,20)/b10-9-
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PubMed
n/an/a 8.00E+4n/an/an/an/an/an/a



Searle Discovery Research

Curated by ChEMBL


Assay Description
Inhibition of amidolytic activity of human tissue factor/human factor 7a


J Nat Prod 61: 1352-5 (1999)


Article DOI: 10.1021/np980117p
BindingDB Entry DOI: 10.7270/Q2SF2VXF
More data for this
Ligand-Target Pair
Coagulation factor VII/tissue factor


(Homo sapiens (Human))
BDBM50269530
PNG
((9Z)-tetradec-9-enoic acid | CHEMBL456732 | cis-De...)
Show SMILES CCCC\C=C/CCCCCCCC(O)=O
Show InChI InChI=1S/C14H26O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h5-6H,2-4,7-13H2,1H3,(H,15,16)/b6-5-
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n/an/a 6.60E+4n/an/an/an/an/an/a



Searle Discovery Research

Curated by ChEMBL


Assay Description
Inhibition of amidolytic activity of human tissue factor/human factor 7a


J Nat Prod 61: 1352-5 (1999)


Article DOI: 10.1021/np980117p
BindingDB Entry DOI: 10.7270/Q2SF2VXF
More data for this
Ligand-Target Pair
Coagulation factor VII/tissue factor


(Homo sapiens (Human))
BDBM22231
PNG
((9Z,12Z)-octadeca-9,12-dienoic acid | CHEMBL267476...)
Show SMILES CCCCC\C=C/C\C=C/CCCCCCCC(O)=O
Show InChI InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10H,2-5,8,11-17H2,1H3,(H,19,20)/b7-6-,10-9-
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n/an/a 4.10E+4n/an/an/an/an/an/a



Searle Discovery Research

Curated by ChEMBL


Assay Description
Inhibition of amidolytic activity of human tissue factor/human factor 7a


J Nat Prod 61: 1352-5 (1999)


Article DOI: 10.1021/np980117p
BindingDB Entry DOI: 10.7270/Q2SF2VXF
More data for this
Ligand-Target Pair
Coagulation factor VII/tissue factor


(Homo sapiens (Human))
BDBM50269532
PNG
((6,9,12)-linolenic acid | (6Z,9Z,12Z)-octadeca-6,9...)
Show SMILES CCCCC\C=C/C\C=C/C\C=C/CCCCC(O)=O
Show InChI InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10,12-13H,2-5,8,11,14-17H2,1H3,(H,19,20)/b7-6-,10-9-,13-12-
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n/an/a 3.00E+4n/an/an/an/an/an/a



Searle Discovery Research

Curated by ChEMBL


Assay Description
Inhibition of amidolytic activity of human tissue factor/human factor 7a


J Nat Prod 61: 1352-5 (1999)


Article DOI: 10.1021/np980117p
BindingDB Entry DOI: 10.7270/Q2SF2VXF
More data for this
Ligand-Target Pair
Coagulation factor VII/tissue factor


(Homo sapiens (Human))
BDBM50240347
PNG
((9,12,15)-linolenic acid | (9Z,12Z,15Z)-octadeca-9...)
Show SMILES CC\C=C/C\C=C/C\C=C/CCCCCCCC(O)=O
Show InChI InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h3-4,6-7,9-10H,2,5,8,11-17H2,1H3,(H,19,20)/b4-3-,7-6-,10-9-
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n/an/a 3.00E+4n/an/an/an/an/an/a



Searle Discovery Research

Curated by ChEMBL


Assay Description
Inhibition of amidolytic activity of human tissue factor/human factor 7a


J Nat Prod 61: 1352-5 (1999)


Article DOI: 10.1021/np980117p
BindingDB Entry DOI: 10.7270/Q2SF2VXF
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM22231
PNG
((9Z,12Z)-octadeca-9,12-dienoic acid | CHEMBL267476...)
Show SMILES CCCCC\C=C/C\C=C/CCCCCCCC(O)=O
Show InChI InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10H,2-5,8,11-17H2,1H3,(H,19,20)/b7-6-,10-9-
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n/an/a 6.50E+4n/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from rat adenosine A1 receptor by liquid scintillation counting


J Nat Prod 62: 912-4 (1999)


Article DOI: 10.1021/np9805490
BindingDB Entry DOI: 10.7270/Q2W66KHS
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (Cyclooxygenase-2)


(Ovis aries (Sheep))
BDBM50240347
PNG
((9,12,15)-linolenic acid | (9Z,12Z,15Z)-octadeca-9...)
Show SMILES CC\C=C/C\C=C/C\C=C/CCCCCCCC(O)=O
Show InChI InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h3-4,6-7,9-10H,2,5,8,11-17H2,1H3,(H,19,20)/b4-3-,7-6-,10-9-
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n/an/a 1.20E+4n/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Inhibition of sheep COX2-mediated prostaglandin biosynthesis using [1-14C]arachidonic acid


J Nat Prod 64: 745-9 (2001)


Article DOI: 10.1021/np000620d
BindingDB Entry DOI: 10.7270/Q24J0DVJ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cyclooxygenase


(Bos taurus)
BDBM50240347
PNG
((9,12,15)-linolenic acid | (9Z,12Z,15Z)-octadeca-9...)
Show SMILES CC\C=C/C\C=C/C\C=C/CCCCCCCC(O)=O
Show InChI InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h3-4,6-7,9-10H,2,5,8,11-17H2,1H3,(H,19,20)/b4-3-,7-6-,10-9-
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n/an/a 9.30E+4n/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Inhibition of bovine COX1-mediated prostaglandin biosynthesis using [1-14C]arachidonic acid


J Nat Prod 64: 745-9 (2001)


Article DOI: 10.1021/np000620d
BindingDB Entry DOI: 10.7270/Q24J0DVJ
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (Cyclooxygenase-2)


(Ovis aries (Sheep))
BDBM22231
PNG
((9Z,12Z)-octadeca-9,12-dienoic acid | CHEMBL267476...)
Show SMILES CCCCC\C=C/C\C=C/CCCCCCCC(O)=O
Show InChI InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10H,2-5,8,11-17H2,1H3,(H,19,20)/b7-6-,10-9-
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n/an/a 9.40E+4n/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Inhibition of sheep COX2-mediated prostaglandin biosynthesis using [1-14C]arachidonic acid


J Nat Prod 64: 745-9 (2001)


Article DOI: 10.1021/np000620d
BindingDB Entry DOI: 10.7270/Q24J0DVJ
More data for this
Ligand-Target Pair
Cyclooxygenase


(Bos taurus)
BDBM22231
PNG
((9Z,12Z)-octadeca-9,12-dienoic acid | CHEMBL267476...)
Show SMILES CCCCC\C=C/C\C=C/CCCCCCCC(O)=O
Show InChI InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10H,2-5,8,11-17H2,1H3,(H,19,20)/b7-6-,10-9-
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n/an/a 1.70E+5n/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Inhibition of bovine COX1-mediated prostaglandin biosynthesis using [1-14C]arachidonic acid


J Nat Prod 64: 745-9 (2001)


Article DOI: 10.1021/np000620d
BindingDB Entry DOI: 10.7270/Q24J0DVJ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Prostaglandin G/H synthase (Cyclooxygenase-2)


(Ovis aries (Sheep))
BDBM50150484
PNG
((Z)-9-octadecenoic acid | (Z)-Octadec-9-enoic acid...)
Show SMILES CCCCCCCC\C=C/CCCCCCCC(O)=O
Show InChI InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-8,11-17H2,1H3,(H,19,20)/b10-9-
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n/an/a>5.00E+5n/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Inhibition of sheep COX2-mediated prostaglandin biosynthesis using [1-14C]arachidonic acid


J Nat Prod 64: 745-9 (2001)


Article DOI: 10.1021/np000620d
BindingDB Entry DOI: 10.7270/Q24J0DVJ
More data for this
Ligand-Target Pair
Cyclooxygenase


(Bos taurus)
BDBM50150484
PNG
((Z)-9-octadecenoic acid | (Z)-Octadec-9-enoic acid...)
Show SMILES CCCCCCCC\C=C/CCCCCCCC(O)=O
Show InChI InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-8,11-17H2,1H3,(H,19,20)/b10-9-
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n/an/a>5.00E+5n/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Inhibition of bovine COX1-mediated prostaglandin biosynthesis using [1-14C]arachidonic acid


J Nat Prod 64: 745-9 (2001)


Article DOI: 10.1021/np000620d
BindingDB Entry DOI: 10.7270/Q24J0DVJ
More data for this
Ligand-Target Pair
DNA topoisomerase I (Topo I)


(Homo sapiens (Human))
BDBM50250903
PNG
((5Z,9Z)-5,9-heptacosadienoic acid | CHEMBL463437)
Show SMILES CCCCCCCCCCCCCCCCC\C=C/CC\C=C/CCCC(O)=O
Show InChI InChI=1S/C27H50O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27(28)29/h18-19,22-23H,2-17,20-21,24-26H2,1H3,(H,28,29)/b19-18-,23-22-
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n/an/a 900n/an/an/an/an/an/a



University of Puerto Rico

Curated by ChEMBL


Assay Description
Inhibition of human DNA topoisomerase 1


J Nat Prod 65: 1715-8 (2002)


Article DOI: 10.1021/np0202576
BindingDB Entry DOI: 10.7270/Q2WW7HFB
More data for this
Ligand-Target Pair
DNA topoisomerase I (Topo I)


(Homo sapiens (Human))
BDBM50150484
PNG
((Z)-9-octadecenoic acid | (Z)-Octadec-9-enoic acid...)
Show SMILES CCCCCCCC\C=C/CCCCCCCC(O)=O
Show InChI InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-8,11-17H2,1H3,(H,19,20)/b10-9-
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n/an/a 3.10E+4n/an/an/an/an/an/a



University of Puerto Rico

Curated by ChEMBL


Assay Description
Inhibition of DNA topoisomerase 1 (unknown origin)


J Nat Prod 65: 1715-8 (2002)


Article DOI: 10.1021/np0202576
BindingDB Entry DOI: 10.7270/Q2WW7HFB
More data for this
Ligand-Target Pair
DNA topoisomerase I (Topo I)


(Homo sapiens (Human))
BDBM50250904
PNG
(CHEMBL460657 | Elaidinsaeure | elaidic acid | tran...)
Show SMILES CCCCCCCC\C=C\CCCCCCCC(O)=O
Show InChI InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-8,11-17H2,1H3,(H,19,20)/b10-9+
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n/an/a>1.00E+6n/an/an/an/an/an/a



University of Puerto Rico

Curated by ChEMBL


Assay Description
Inhibition of DNA topoisomerase 1 (unknown origin)


J Nat Prod 65: 1715-8 (2002)


Article DOI: 10.1021/np0202576
BindingDB Entry DOI: 10.7270/Q2WW7HFB
More data for this
Ligand-Target Pair
Free fatty acid receptor 4


(Homo sapiens (Human))
BDBM22231
PNG
((9Z,12Z)-octadeca-9,12-dienoic acid | CHEMBL267476...)
Show SMILES CCCCC\C=C/C\C=C/CCCCCCCC(O)=O
Show InChI InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10H,2-5,8,11-17H2,1H3,(H,19,20)/b7-6-,10-9-
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n/an/an/an/a 316n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at human FFA4 receptor expressed in U2OS cells assessed as calcium mobilization after 24 hrs by FLIPR


Bioorg Med Chem Lett 24: 3100-3 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.012
BindingDB Entry DOI: 10.7270/Q2CC1292
More data for this
Ligand-Target Pair
Fatty acid binding protein muscle


(Homo sapiens (Human))
BDBM22231
PNG
((9Z,12Z)-octadeca-9,12-dienoic acid | CHEMBL267476...)
Show SMILES CCCCC\C=C/C\C=C/CCCCCCCC(O)=O
Show InChI InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10H,2-5,8,11-17H2,1H3,(H,19,20)/b7-6-,10-9-
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n/an/a 1.00E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of FABP4 (unknown origin) relative to linoleic acid


Eur J Med Chem 90: 241-50 (2015)


Article DOI: 10.1016/j.ejmech.2014.11.020
BindingDB Entry DOI: 10.7270/Q29K4CXF
More data for this
Ligand-Target Pair
Fatty acid binding protein muscle


(Homo sapiens (Human))
BDBM22231
PNG
((9Z,12Z)-octadeca-9,12-dienoic acid | CHEMBL267476...)
Show SMILES CCCCC\C=C/C\C=C/CCCCCCCC(O)=O
Show InChI InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10H,2-5,8,11-17H2,1H3,(H,19,20)/b7-6-,10-9-
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n/an/a 1.00E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of FABP3 (unknown origin) relative to linoleic acid


Eur J Med Chem 90: 241-50 (2015)


Article DOI: 10.1016/j.ejmech.2014.11.020
BindingDB Entry DOI: 10.7270/Q29K4CXF
More data for this
Ligand-Target Pair
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