BDBM39718 (2Z)-1-ethyl-2-[(E)-3-(1-ethyl-3,3-dimethyl-2-indol-1-iumyl)prop-2-enylidene]-3,3-dimethylindole;perchlorate::(2Z)-1-ethyl-2-[(E)-3-(1-ethyl-3,3-dimethyl-indol-1-ium-2-yl)prop-2-enylidene]-3,3-dimethyl-indole;perchlorate::(2Z)-1-ethyl-2-[(E)-3-(1-ethyl-3,3-dimethylindol-1-ium-2-yl)prop-2-enylidene]-3,3-dimethylindole;perchlorate::1-ethyl-2-[(E,3E)-3-(1-ethyl-3,3-dimethyl-indolin-2-ylidene)prop-1-enyl]-3,3-dimethyl-indol-1-ium;perchlorate::1-ethyl-2-[(E,3Z)-3-(1-ethyl-3,3-dimethyl-indolin-2-ylidene)prop-1-enyl]-3,3-dimethyl-indol-1-ium;perchlorate::MLS000536778::SMR000155663::cid_9551964

SMILES CCN1\C(=C/C=C/C2=[N+](CC)c3ccccc3C2(C)C)C(C)(C)c2ccccc12

InChI Key InChIKey=PUIDNHIQNRMZGS-UHFFFAOYSA-N

Data  6 IC50  4 EC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 10 hits for monomerid = 39718   

TargetSphingosine 1-phosphate receptor 2(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM39718(SMR000155663 | 1-ethyl-2-[(E,3E)-3-(1-ethyl-3,3-di...)
Affinity DataIC50: 587nMAssay Description:Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/12/2011
Entry Details
PCBioAssay
TargetAlkaline phosphatase, germ cell type(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM39718(SMR000155663 | 1-ethyl-2-[(E,3E)-3-(1-ethyl-3,3-di...)
Affinity DataIC50: 2.20E+4nMAssay Description:Sanford-Burnham Center for Chemical Genomics (SBCCG) Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) NIH Molecular Libraries Screen...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/30/2011
Entry Details
PCBioAssay
TargetSphingosine 1-phosphate receptor 2(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM39718(SMR000155663 | 1-ethyl-2-[(E,3E)-3-(1-ethyl-3,3-di...)
Affinity DataIC50: 64nMAssay Description:Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/28/2011
Entry Details
PCBioAssay
TargetAlkaline phosphatase, germ cell type(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM39718(SMR000155663 | 1-ethyl-2-[(E,3E)-3-(1-ethyl-3,3-di...)
Affinity DataEC50:  9.99E+5nMAssay Description:Sanford-Burnham Center for Chemical Genomics (SBCCG) Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) NIH Molecular Libraries Screen...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/8/2011
Entry Details
PCBioAssay
TargetStreptokinase A(Streptococcus pyogenes M1 GAS)
Broad Institute

Curated by PubChem BioAssay
LigandPNGBDBM39718(SMR000155663 | 1-ethyl-2-[(E,3E)-3-(1-ethyl-3,3-di...)
Affinity DataEC50:  1.56E+4nMAssay Description:Keywords: Group A streptococcus, GAS, streptokinase, expression, virulence, inhibition, dose response, EC50 Assay Overview: The goal of this assa...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/8/2011
Entry Details
PCBioAssay
TargetDNA damage-inducible transcript 3 protein(Mouse)
Emory University

Curated by PubChem BioAssay
LigandPNGBDBM39718(SMR000155663 | 1-ethyl-2-[(E,3E)-3-(1-ethyl-3,3-di...)
Affinity DataIC50: 1.00E+4nMAssay 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
TargetImportin subunit alpha-1(Human)
Broad Institute

Curated by PubChem BioAssay
LigandPNGBDBM39718(SMR000155663 | 1-ethyl-2-[(E,3E)-3-(1-ethyl-3,3-di...)
Affinity DataEC50:  2.98E+4nMAssay Description:Keywords: Counterscreen, FRET assay, HTS, YIC probe, Dose response, Assay Overview: This is a fluorescence resonance energy transfer (FRET)-based b...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
LigandPNGBDBM39718(SMR000155663 | 1-ethyl-2-[(E,3E)-3-(1-ethyl-3,3-di...)
Affinity DataIC50: 320nMAssay 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
LigandPNGBDBM39718(SMR000155663 | 1-ethyl-2-[(E,3E)-3-(1-ethyl-3,3-di...)
Affinity DataIC50: 1.00E+4nMAssay 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
TargetCorticotropin-releasing factor-binding protein(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM39718(SMR000155663 | 1-ethyl-2-[(E,3E)-3-(1-ethyl-3,3-di...)
Affinity DataEC50:  3.74E+3nMAssay 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:
6/19/2012
Entry Details
PCBioAssay