BDBM31698 3-bromanyl-5-(3,3-dimethylpiperidin-1-yl)carbonyl-pyran-2-one::3-bromo-5-(3,3-dimethylpiperidine-1-carbonyl)pyran-2-one::3-bromo-5-[(3,3-dimethyl-1-piperidinyl)-oxomethyl]-2-pyranone::MLS000080954::SMR000044848::cid_664033

SMILES CC1(C)CCCN(C1)C(=O)c1coc(=O)c(Br)c1

InChI Key InChIKey=YQLYKVRHTNDWJG-UHFFFAOYSA-N

Data  17 IC50  4 EC50

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 21 hits for monomerid = 31698   

TargetTyrosine-protein phosphatase non-receptor type 7(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM31698(SMR000044848 | MLS000080954 | 3-bromo-5-[(3,3-dime...)
Affinity DataIC50: 400nMAssay 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:
6/4/2011
Entry Details
PCBioAssay
TargetGuanine nucleotide-binding protein subunit alpha-15(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM31698(SMR000044848 | MLS000080954 | 3-bromo-5-[(3,3-dime...)
Affinity DataIC50: 2.99E+4nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/21/2013
Entry Details
PCBioAssay
TargetTrace amine-associated receptor 1(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM31698(SMR000044848 | MLS000080954 | 3-bromo-5-[(3,3-dime...)
Affinity DataEC50:  827nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/21/2013
Entry Details
PCBioAssay
TargetTrace amine-associated receptor 1(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM31698(SMR000044848 | MLS000080954 | 3-bromo-5-[(3,3-dime...)
Affinity DataIC50: 2.41E+3nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/21/2013
Entry Details
PCBioAssay
TargetGuanine nucleotide-binding protein subunit alpha-15(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM31698(SMR000044848 | MLS000080954 | 3-bromo-5-[(3,3-dime...)
Affinity DataEC50: >2.99E+4nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/21/2013
Entry Details
PCBioAssay
TargetDNA (cytosine-5)-methyltransferase 1(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM31698(SMR000044848 | MLS000080954 | 3-bromo-5-[(3,3-dime...)
Affinity DataIC50: 2.92E+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
TargetdTDP-4-dehydrorhamnose 3,5-epimerase(Mycobacterium tuberculosis (strain CDC 1551 / Oshk...)
Pcmd

Curated by PubChem BioAssay
LigandPNGBDBM31698(SMR000044848 | MLS000080954 | 3-bromo-5-[(3,3-dime...)
Affinity DataIC50: 4.90E+3nMAssay Description:Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Michael McNeil, Colorado State Universi...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/31/2011
Entry Details
PCBioAssay
TargetZinc finger protein mex-5(Caenorhabditis elegans)
Broad Institute

Curated by PubChem BioAssay
LigandPNGBDBM31698(SMR000044848 | MLS000080954 | 3-bromo-5-[(3,3-dime...)
Affinity DataEC50:  6.83E+4nMAssay Description:Broad Institute: MLPCN maternal gene expression Project ID: 2024 Keywords: Zinc finger, C. elegans, maternal gene expression, RNA-protein interac...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/1/2011
Entry Details
PCBioAssay
TargetPOsterior Segregation(Caenorhabditis elegans)
Broad Institute

Curated by PubChem BioAssay
LigandPNGBDBM31698(SMR000044848 | MLS000080954 | 3-bromo-5-[(3,3-dime...)
Affinity DataEC50:  3.00E+5nMAssay Description:Broad Institute: MLPCN maternal gene expression Project ID: 2024 Keywords: Zinc finger, C. elegans, maternal gene expression, RNA-protein interac...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/1/2011
Entry Details
PCBioAssay
TargetHeat shock cognate 71 kDa protein(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM31698(SMR000044848 | MLS000080954 | 3-bromo-5-[(3,3-dime...)
Affinity DataIC50: 9.99E+5nMAssay Description:Sanford-Burnham Center for Chemical Genomics (SBCCG) Sanford-Burnham Medical Research Institute (San Diego, CA) NIH Molecular Libraries Screening Cen...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/4/2011
Entry Details
PCBioAssay
TargetDual specificity protein phosphatase 6(Rat)
Sanford-Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM31698(SMR000044848 | MLS000080954 | 3-bromo-5-[(3,3-dime...)
Affinity DataIC50: 1.00E+4nMAssay 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:
6/4/2011
Entry Details
PCBioAssay
TargetHeat shock 70 kDa protein 1A(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM31698(SMR000044848 | MLS000080954 | 3-bromo-5-[(3,3-dime...)
Affinity DataIC50: 1.31E+4nMpH: 7.0 T: 2°CAssay Description:Burnham Center for Chemical Genomics (BCCG) Burnham Institute for Medical Research (San Diego, CA) NIH Molecular Libraries Screening Centers Network ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/25/2009
Entry Details
PCBioAssay
TargetEstrogen receptor beta(Human)
Emory University

Curated by PubChem BioAssay
LigandPNGBDBM31698(SMR000044848 | MLS000080954 | 3-bromo-5-[(3,3-dime...)
Affinity DataIC50: 1.56E+3nMAssay Description:NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: John A. Katzenellenbogen, ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/30/2011
Entry Details
PCBioAssay
TargetEstrogen receptor beta(Human)
Emory University

Curated by PubChem BioAssay
LigandPNGBDBM31698(SMR000044848 | MLS000080954 | 3-bromo-5-[(3,3-dime...)
Affinity DataIC50: 9.32E+4nMAssay Description:NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: John A. Katzenellenbogen, ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/30/2011
Entry Details
PCBioAssay
TargetProtein-tyrosine kinase 2-beta(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM31698(SMR000044848 | MLS000080954 | 3-bromo-5-[(3,3-dime...)
Affinity DataIC50: 5.23E+3nMAssay Description:Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/28/2011
Entry Details
PCBioAssay
TargetEphrin type-A receptor 4(Mouse)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM31698(SMR000044848 | MLS000080954 | 3-bromo-5-[(3,3-dime...)
Affinity DataIC50: 5.00E+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:
5/27/2011
Entry Details
PCBioAssay
TargetEphrin type-A receptor 4(Mouse)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM31698(SMR000044848 | MLS000080954 | 3-bromo-5-[(3,3-dime...)
Affinity DataIC50: 8.98E+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:
5/27/2011
Entry Details
PCBioAssay
TargetNuclear receptor subfamily 4 group A member 1(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM31698(SMR000044848 | MLS000080954 | 3-bromo-5-[(3,3-dime...)
Affinity DataIC50: 6.54E+3nMAssay Description:Sanford-Burnham Center for Chemical Genomics (SBCCG) Sanford-Burnham Medical Research Institute (San Diego, CA) NIH Molecular Libraries Screening Cen...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/6/2011
Entry Details
PCBioAssay
TargetMothers against decapentaplegic homolog 3(Human)
Emory University

Curated by PubChem BioAssay
LigandPNGBDBM31698(SMR000044848 | MLS000080954 | 3-bromo-5-[(3,3-dime...)
Affinity DataIC50: 1.41E+4nMAssay Description:NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: F.M. Hoffmann, University ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/6/2011
Entry Details
PCBioAssay
TargetFocal adhesion kinase 1(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM31698(SMR000044848 | MLS000080954 | 3-bromo-5-[(3,3-dime...)
Affinity DataIC50: 7.67E+3nMAssay Description:Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assa...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/11/2011
Entry Details
PCBioAssay
TargetHeat shock 70 kDa protein 1A(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM31698(SMR000044848 | MLS000080954 | 3-bromo-5-[(3,3-dime...)
Affinity DataIC50: 8.32E+3nMAssay Description:Sanford-Burnham Center for Chemical Genomics (SBCCG) Sanford-Burnham Medical Research Institute (San Diego, CA) NIH Molecular Libraries Screening Cen...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/11/2011
Entry Details
PCBioAssay