BDBM61009 (1aS,3aS,6aS,6bR)-5,5,6b-trimethyl-3a,4,6,6a-tetrahydro-1H-cycloprop[e]indene-1a,2-dicarbaldehyde::(1aS,3aS,6aS,6bR)-5,5,6b-trimethyl-3a,4,6,6a-tetrahydro-1H-cyclopropa[e]indene-1a,2-dicarbaldehyde::(1aS,3aS,6aS,6bR)-5,5,6b-trimethyl-3a,4,6,6a-tetrahydro-1H-cyclopropa[e]indene-1a,2-dicarboxaldehyde::CHEMBL518292::Isovelleral::MLS000517255::SMR000127505::cid_37839::marasmane

SMILES C[C@]12C[C@@]1(C=O)C(C=O)=C[C@@H]1CC(C)(C)C[C@H]21

InChI Key InChIKey=PJAAESPGJOSQGZ-UHFFFAOYSA-N

Data  3 IC50  10 EC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 13 hits for monomerid = 61009   

TargetG-protein coupled receptor 55(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM61009(cid_37839 | Isovelleral | marasmane | (1aS,3aS,6aS...)
Affinity DataEC50:  500nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/9/2011
Entry Details
PCBioAssay
TargetHeat shock factor protein 1(Mouse)
Broad Institute

Curated by PubChem BioAssay
LigandPNGBDBM61009(cid_37839 | Isovelleral | marasmane | (1aS,3aS,6aS...)
Affinity DataEC50:  530nMAssay Description:Keywords: Heat Shock Factor-1 (HSF-1), Stress Response, MG132, NIH3T3, Luminescence Assay Overview: Modified NIH3T3, transformed to express firefly...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/10/2011
Entry Details
PCBioAssay
TargetAmmonium transporter MEP2(Baker's yeast)
Nmmlsc

Curated by PubChem BioAssay
LigandPNGBDBM61009(cid_37839 | Isovelleral | marasmane | (1aS,3aS,6aS...)
Affinity DataEC50:  1.26E+3nMAssay Description:University of New Mexico Assay Overview: Assay Support: 1R03 MH086450-01 Project Title: Chemical Screen of TOR pathway GFP fusion proteins in S. ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/11/2011
Entry Details
PCBioAssay
TargetCitrate synthase, peroxisomal [1-24](Baker's yeast)
Nmmlsc

Curated by PubChem BioAssay
LigandPNGBDBM61009(cid_37839 | Isovelleral | marasmane | (1aS,3aS,6aS...)
Affinity DataEC50:  1.41E+3nMAssay Description:University of New Mexico Assay Overview: Assay Support: 1R03 MH086450-01 Project Title: Chemical Screen of TOR pathway GFP fusion proteins in S. ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/11/2011
Entry Details
PCBioAssay
Target60S ribosomal protein L19-A(Baker's yeast)
Nmmlsc

Curated by PubChem BioAssay
LigandPNGBDBM61009(cid_37839 | Isovelleral | marasmane | (1aS,3aS,6aS...)
Affinity DataEC50:  3.62E+3nMAssay Description:University of New Mexico Assay Overview: Assay Support: 1R03 MH086450-01 Project Title: Chemical Screen of TOR pathway GFP fusion proteins in S. ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/11/2011
Entry Details
PCBioAssay
TargetVacuolar aminopeptidase 1(Baker's yeast)
Nmmlsc

Curated by PubChem BioAssay
LigandPNGBDBM61009(cid_37839 | Isovelleral | marasmane | (1aS,3aS,6aS...)
Affinity DataEC50:  865nMAssay Description:University of New Mexico Assay Overview: Assay Support: 1R03 MH086450-01 Project Title: Chemical Screen of TOR pathway GFP fusion proteins in S. ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/11/2011
Entry Details
PCBioAssay
TargetDNA damage-inducible transcript 3 protein(Mouse)
Emory University

Curated by PubChem BioAssay
LigandPNGBDBM61009(cid_37839 | Isovelleral | marasmane | (1aS,3aS,6aS...)
Affinity DataIC50: 800nMAssay Description:NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Dr. Randal Kaufman, Univer...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/12/2011
Entry Details
PCBioAssay
TargetIntegrin alpha-4(Human)
Nmmlsc

Curated by PubChem BioAssay
LigandPNGBDBM61009(cid_37839 | Isovelleral | marasmane | (1aS,3aS,6aS...)
Affinity DataEC50:  3.15E+3nMAssay Description:University of New Mexico Assay Overview: Assay Support Project Title:HTS for Identification of VLA-4 Allosteric Modulators 1 R01 HL081062-01 PI:Lar...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/31/2011
Entry Details
PCBioAssay
TargetX-box-binding protein 1(Human)
Emory University

Curated by PubChem BioAssay
LigandPNGBDBM61009(cid_37839 | Isovelleral | marasmane | (1aS,3aS,6aS...)
Affinity DataIC50: 2.32E+3nMAssay Description:NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Dr. Randal Kaufman, Univer...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/2/2011
Entry Details
PCBioAssay
TargetDNA damage-inducible transcript 3 protein(Mouse)
Emory University

Curated by PubChem BioAssay
LigandPNGBDBM61009(cid_37839 | Isovelleral | marasmane | (1aS,3aS,6aS...)
Affinity DataIC50: 800nMAssay Description:NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Dr. Randal Kaufman, Univer...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/2/2011
Entry Details
PCBioAssay
LigandPNGBDBM61009(cid_37839 | Isovelleral | marasmane | (1aS,3aS,6aS...)
Affinity DataEC50:  1.30E+5nMAssay Description:Agonist activity at TRPA1 channel in mouse dorsal root ganglion cells assessed as increase in intracellular calcium influx by radiometric Ca2+ imagin...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/31/2012
Entry Details Article
PubMed
LigandPNGBDBM61009(cid_37839 | Isovelleral | marasmane | (1aS,3aS,6aS...)
Affinity DataEC50:  590nMAssay Description:Agonist activity at human TRPA1 channel expressed in HEK293 cells assessed as increase in intracellular calcium influxMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/31/2012
Entry Details Article
PubMed
LigandPNGBDBM61009(cid_37839 | Isovelleral | marasmane | (1aS,3aS,6aS...)
Affinity DataEC50:  2.58E+3nMAssay Description:Agonist activity at mouse TRPA1 channel expressed in HEK293 cells assessed as increase in intracellular calcium influxMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/31/2012
Entry Details Article
PubMed