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BDBM34230 (Z)-7-[(1R,2S)-2-[(E,3S)-3-hydroxyoct-1-enyl]-5-keto-cyclopent-3-en-1-yl]hept-5-enoic acid::(Z)-7-[(1R,2S)-2-[(E,3S)-3-hydroxyoct-1-enyl]-5-oxo-1-cyclopent-3-enyl]-5-heptenoic acid::(Z)-7-[(1R,2S)-2-[(E,3S)-3-hydroxyoct-1-enyl]-5-oxocyclopent-3-en-1-yl]hept-5-enoic acid::(Z)-7-[(1R,5S)-2-oxidanylidene-5-[(E,3S)-3-oxidanyloct-1-enyl]cyclopent-3-en-1-yl]hept-5-enoic acid::MLS000069589::PROSTAGLANDIN A2::SMR000058790::cid_5280880

SMILES: CCCCC[C@H](O)C=C[C@H]1C=CC(=O)[C@@H]1C\C=C/CCCC(O)=O

InChI Key: InChIKey=MYHXHCUNDDAEOZ-YCJQKBDTSA-N

Data: 1 KI  8 IC50  1 EC50

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 10 hits for monomerid = 34230   
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
PTGDR


(RAT)
BDBM34230
PNG
((Z)-7-[(1R,2S)-2-[(E,3S)-3-hydroxyoct-1-enyl]-5-ke...)
Show SMILES CCCCC[C@H](O)C=C[C@H]1C=CC(=O)[C@@H]1C\C=C/CCCC(O)=O
Show InChI InChI=1S/C20H30O4/c1-2-3-6-9-17(21)14-12-16-13-15-19(22)18(16)10-7-4-5-8-11-20(23)24/h4,7,12-18,21H,2-3,5-6,8-11H2,1H3,(H,23,24)/b7-4-,14-12?/t16-,17-,18+/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Kyoto University

Curated by PDSP Ki Database




Citation and Details
More data for this
Ligand-Target Pair
Dual Specificity Protein Phosphatase 1


(Homo sapiens)
BDBM34230
PNG
((Z)-7-[(1R,2S)-2-[(E,3S)-3-hydroxyoct-1-enyl]-5-ke...)
Show SMILES CCCCC[C@H](O)C=C[C@H]1C=CC(=O)[C@@H]1C\C=C/CCCC(O)=O
Show InChI InChI=1S/C20H30O4/c1-2-3-6-9-17(21)14-12-16-13-15-19(22)18(16)10-7-4-5-8-11-20(23)24/h4,7,12-18,21H,2-3,5-6,8-11H2,1H3,(H,23,24)/b7-4-,14-12?/t16-,17-,18+/m0/s1
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n/an/a 2.33E+4n/an/an/an/an/an/a



University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
The MKP-1 Phosphatase Dose Response Confirmation and Secondary Selectivity/Specificity Assay has been Developed and Run at the University of Pittsbur...


PubChem Bioassay (2006)

More data for this
Ligand-Target Pair
Dual specificity phosphatase Cdc25B


(Homo sapiens (Human))
BDBM34230
PNG
((Z)-7-[(1R,2S)-2-[(E,3S)-3-hydroxyoct-1-enyl]-5-ke...)
Show SMILES CCCCC[C@H](O)C=C[C@H]1C=CC(=O)[C@@H]1C\C=C/CCCC(O)=O
Show InChI InChI=1S/C20H30O4/c1-2-3-6-9-17(21)14-12-16-13-15-19(22)18(16)10-7-4-5-8-11-20(23)24/h4,7,12-18,21H,2-3,5-6,8-11H2,1H3,(H,23,24)/b7-4-,14-12?/t16-,17-,18+/m0/s1
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n/an/a 4.31E+4n/an/an/an/an/an/a



University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
The Cdc25B Phosphatase Secondary Selectivity Assay has been developed and run at the University of Pittsburgh Molecular Screening Center (PMLSC) part...


PubChem Bioassay (2006)

More data for this
Ligand-Target Pair
MKP-3


(Rattus norvegicus)
BDBM34230
PNG
((Z)-7-[(1R,2S)-2-[(E,3S)-3-hydroxyoct-1-enyl]-5-ke...)
Show SMILES CCCCC[C@H](O)C=C[C@H]1C=CC(=O)[C@@H]1C\C=C/CCCC(O)=O
Show InChI InChI=1S/C20H30O4/c1-2-3-6-9-17(21)14-12-16-13-15-19(22)18(16)10-7-4-5-8-11-20(23)24/h4,7,12-18,21H,2-3,5-6,8-11H2,1H3,(H,23,24)/b7-4-,14-12?/t16-,17-,18+/m0/s1
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n/an/a>5.00E+4n/an/an/an/an/an/a



University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
The MKP-3 Phosphatase Secondary Selectivity Assay has been developed and run at the University of Pittsburgh Molecular Screening Center (PMLSC) part ...


PubChem Bioassay (2006)

More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))
BDBM34230
PNG
((Z)-7-[(1R,2S)-2-[(E,3S)-3-hydroxyoct-1-enyl]-5-ke...)
Show SMILES CCCCC[C@H](O)C=C[C@H]1C=CC(=O)[C@@H]1C\C=C/CCCC(O)=O
Show InChI InChI=1S/C20H30O4/c1-2-3-6-9-17(21)14-12-16-13-15-19(22)18(16)10-7-4-5-8-11-20(23)24/h4,7,12-18,21H,2-3,5-6,8-11H2,1H3,(H,23,24)/b7-4-,14-12?/t16-,17-,18+/m0/s1
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n/an/an/an/a 2.40E+4n/an/an/an/a



Ferrara University

Curated by ChEMBL


Assay Description
Activation of TRPA1 channel


J Med Chem 53: 5085-107 (2010)

More data for this
Ligand-Target Pair
Genome polyprotein


(West Nile virus)
BDBM34230
PNG
((Z)-7-[(1R,2S)-2-[(E,3S)-3-hydroxyoct-1-enyl]-5-ke...)
Show SMILES CCCCC[C@H](O)C=C[C@H]1C=CC(=O)[C@@H]1C\C=C/CCCC(O)=O
Show InChI InChI=1S/C20H30O4/c1-2-3-6-9-17(21)14-12-16-13-15-19(22)18(16)10-7-4-5-8-11-20(23)24/h4,7,12-18,21H,2-3,5-6,8-11H2,1H3,(H,23,24)/b7-4-,14-12?/t16-,17-,18+/m0/s1
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n/an/a>5.00E+7n/an/an/an/an/an/a



University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
The HTS assay to identify Inhibitors of West Nile Virus (WNV) NS2bNS3 Proteinase was proposed by Dr Alex Strongin of the Burnham Institute XO1-MH0776...


PubChem Bioassay (2007)

More data for this
Ligand-Target Pair
Dual specificity phosphatase Cdc25B


(Homo sapiens (Human))
BDBM34230
PNG
((Z)-7-[(1R,2S)-2-[(E,3S)-3-hydroxyoct-1-enyl]-5-ke...)
Show SMILES CCCCC[C@H](O)C=C[C@H]1C=CC(=O)[C@@H]1C\C=C/CCCC(O)=O
Show InChI InChI=1S/C20H30O4/c1-2-3-6-9-17(21)14-12-16-13-15-19(22)18(16)10-7-4-5-8-11-20(23)24/h4,7,12-18,21H,2-3,5-6,8-11H2,1H3,(H,23,24)/b7-4-,14-12?/t16-,17-,18+/m0/s1
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n/an/a>5.00E+4n/an/an/an/an/an/a



University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
The MKP-1 Dual Specificity Protein Tyrosine Phosphatase Probe Assessment Cdc25B Dose Response Selectivity Assay has been developed to evaluate the PT...


Citation and Details
More data for this
Ligand-Target Pair
Hematopoietic protein-tyrosine phosphatase (HEPTP)


(Homo sapiens (Human))
BDBM34230
PNG
((Z)-7-[(1R,2S)-2-[(E,3S)-3-hydroxyoct-1-enyl]-5-ke...)
Show SMILES CCCCC[C@H](O)C=C[C@H]1C=CC(=O)[C@@H]1C\C=C/CCCC(O)=O
Show InChI InChI=1S/C20H30O4/c1-2-3-6-9-17(21)14-12-16-13-15-19(22)18(16)10-7-4-5-8-11-20(23)24/h4,7,12-18,21H,2-3,5-6,8-11H2,1H3,(H,23,24)/b7-4-,14-12?/t16-,17-,18+/m0/s1
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n/an/a 1.37E+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 (2008)

More data for this
Ligand-Target Pair
Gag-Pol polyprotein


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM34230
PNG
((Z)-7-[(1R,2S)-2-[(E,3S)-3-hydroxyoct-1-enyl]-5-ke...)
Show SMILES CCCCC[C@H](O)C=C[C@H]1C=CC(=O)[C@@H]1C\C=C/CCCC(O)=O
Show InChI InChI=1S/C20H30O4/c1-2-3-6-9-17(21)14-12-16-13-15-19(22)18(16)10-7-4-5-8-11-20(23)24/h4,7,12-18,21H,2-3,5-6,8-11H2,1H3,(H,23,24)/b7-4-,14-12?/t16-,17-,18+/m0/s1
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n/an/a 1.06E+3n/an/an/an/a8.023



University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
A fluorescence resonance energy transfer assay is developed in 96-well and 384-well microplate formats with robotic manipulation to enable high-throu...


Citation and Details
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 22


(Homo sapiens (Human))
BDBM34230
PNG
((Z)-7-[(1R,2S)-2-[(E,3S)-3-hydroxyoct-1-enyl]-5-ke...)
Show SMILES CCCCC[C@H](O)C=C[C@H]1C=CC(=O)[C@@H]1C\C=C/CCCC(O)=O
Show InChI InChI=1S/C20H30O4/c1-2-3-6-9-17(21)14-12-16-13-15-19(22)18(16)10-7-4-5-8-11-20(23)24/h4,7,12-18,21H,2-3,5-6,8-11H2,1H3,(H,23,24)/b7-4-,14-12?/t16-,17-,18+/m0/s1
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n/an/a 6.69E+3n/an/an/an/an/an/a



Columbia University Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
LYP, a lymphocyte specific protein tyrosine phosphatase that plays a critical regulatory role in T cell receptor signaling, is encoded by the PTPN22 ...


PubChem Bioassay (2007)

More data for this
Ligand-Target Pair