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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

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 21 hits for monomerid = 31698   
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
Heat Shock 70kDa Protein 1


(Homo sapiens (Human))
BDBM31698
PNG
(3-bromanyl-5-(3,3-dimethylpiperidin-1-yl)carbonyl-...)
Show SMILES CC1(C)CCCN(C1)C(=O)c1coc(=O)c(Br)c1
Show InChI InChI=1S/C13H16BrNO3/c1-13(2)4-3-5-15(8-13)11(16)9-6-10(14)12(17)18-7-9/h6-7H,3-5,8H2,1-2H3
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n/an/a 1.31E+4n/an/an/an/a7.023



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Burnham Center for Chemical Genomics (BCCG) Burnham Institute for Medical Research (San Diego, CA) NIH Molecular Libraries Screening Centers Network ...


PubChem Bioassay (2008)


Article DOI: 10.1016/S0893-133X(98)00099-2
BindingDB Entry DOI: 10.7270/Q2S180TW
More data for this
Ligand-Target Pair
G-protein subunit alpha-16


(Homo sapiens (Human))
BDBM31698
PNG
(3-bromanyl-5-(3,3-dimethylpiperidin-1-yl)carbonyl-...)
Show SMILES CC1(C)CCCN(C1)C(=O)c1coc(=O)c(Br)c1
Show InChI InChI=1S/C13H16BrNO3/c1-13(2)4-3-5-15(8-13)11(16)9-6-10(14)12(17)18-7-9/h6-7H,3-5,8H2,1-2H3
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n/an/a>2.99E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2QZ28KG
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))
BDBM31698
PNG
(3-bromanyl-5-(3,3-dimethylpiperidin-1-yl)carbonyl-...)
Show SMILES CC1(C)CCCN(C1)C(=O)c1coc(=O)c(Br)c1
Show InChI InChI=1S/C13H16BrNO3/c1-13(2)4-3-5-15(8-13)11(16)9-6-10(14)12(17)18-7-9/h6-7H,3-5,8H2,1-2H3
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n/an/a 7.67E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2GX48ZN
More data for this
Ligand-Target Pair
mothers against decapentaplegic homolog 3


(Homo sapiens (Human))
BDBM31698
PNG
(3-bromanyl-5-(3,3-dimethylpiperidin-1-yl)carbonyl-...)
Show SMILES CC1(C)CCCN(C1)C(=O)c1coc(=O)c(Br)c1
Show InChI InChI=1S/C13H16BrNO3/c1-13(2)4-3-5-15(8-13)11(16)9-6-10(14)12(17)18-7-9/h6-7H,3-5,8H2,1-2H3
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n/an/a 1.41E+4n/an/an/an/an/an/a



Emory University

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: F.M. Hoffmann, University ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2G44NQ4
More data for this
Ligand-Target Pair
nuclear receptor subfamily 4, group A, member 1


(Homo sapiens (Human))
BDBM31698
PNG
(3-bromanyl-5-(3,3-dimethylpiperidin-1-yl)carbonyl-...)
Show SMILES CC1(C)CCCN(C1)C(=O)c1coc(=O)c(Br)c1
Show InChI InChI=1S/C13H16BrNO3/c1-13(2)4-3-5-15(8-13)11(16)9-6-10(14)12(17)18-7-9/h6-7H,3-5,8H2,1-2H3
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n/an/a 6.54E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Sanford-Burnham Center for Chemical Genomics (SBCCG) Sanford-Burnham Medical Research Institute (San Diego, CA) NIH Molecular Libraries Screening Cen...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q29C6VTK
More data for this
Ligand-Target Pair
Eph receptor A4


(Mus musculus)
BDBM31698
PNG
(3-bromanyl-5-(3,3-dimethylpiperidin-1-yl)carbonyl-...)
Show SMILES CC1(C)CCCN(C1)C(=O)c1coc(=O)c(Br)c1
Show InChI InChI=1S/C13H16BrNO3/c1-13(2)4-3-5-15(8-13)11(16)9-6-10(14)12(17)18-7-9/h6-7H,3-5,8H2,1-2H3
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n/an/a 8.98E+3n/an/an/an/an/an/a



Sanford-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)


BindingDB Entry DOI: 10.7270/Q2P55KW4
More data for this
Ligand-Target Pair
Eph receptor A4


(Mus musculus)
BDBM31698
PNG
(3-bromanyl-5-(3,3-dimethylpiperidin-1-yl)carbonyl-...)
Show SMILES CC1(C)CCCN(C1)C(=O)c1coc(=O)c(Br)c1
Show InChI InChI=1S/C13H16BrNO3/c1-13(2)4-3-5-15(8-13)11(16)9-6-10(14)12(17)18-7-9/h6-7H,3-5,8H2,1-2H3
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n/an/a>5.00E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Sanford-Burnham Center for Chemical Genomics (SBCCG) Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) NIH Molecular Libraries Screen...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2JD4V5T
More data for this
Ligand-Target Pair
PTK2B protein tyrosine kinase 2 beta (PTK2B)


(Homo sapiens (Human))
BDBM31698
PNG
(3-bromanyl-5-(3,3-dimethylpiperidin-1-yl)carbonyl-...)
Show SMILES CC1(C)CCCN(C1)C(=O)c1coc(=O)c(Br)c1
Show InChI InChI=1S/C13H16BrNO3/c1-13(2)4-3-5-15(8-13)11(16)9-6-10(14)12(17)18-7-9/h6-7H,3-5,8H2,1-2H3
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n/an/a 5.23E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2H993M3
More data for this
Ligand-Target Pair
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM31698
PNG
(3-bromanyl-5-(3,3-dimethylpiperidin-1-yl)carbonyl-...)
Show SMILES CC1(C)CCCN(C1)C(=O)c1coc(=O)c(Br)c1
Show InChI InChI=1S/C13H16BrNO3/c1-13(2)4-3-5-15(8-13)11(16)9-6-10(14)12(17)18-7-9/h6-7H,3-5,8H2,1-2H3
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n/an/a 9.32E+4n/an/an/an/an/an/a



Emory University

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: John A. Katzenellenbogen, ...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2CF9NHH
More data for this
Ligand-Target Pair
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM31698
PNG
(3-bromanyl-5-(3,3-dimethylpiperidin-1-yl)carbonyl-...)
Show SMILES CC1(C)CCCN(C1)C(=O)c1coc(=O)c(Br)c1
Show InChI InChI=1S/C13H16BrNO3/c1-13(2)4-3-5-15(8-13)11(16)9-6-10(14)12(17)18-7-9/h6-7H,3-5,8H2,1-2H3
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n/an/a 1.56E+3n/an/an/an/an/an/a



Emory University

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: John A. Katzenellenbogen, ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2WD3Z0J
More data for this
Ligand-Target Pair
Hematopoietic protein-tyrosine phosphatase (HEPTP)


(Homo sapiens (Human))
BDBM31698
PNG
(3-bromanyl-5-(3,3-dimethylpiperidin-1-yl)carbonyl-...)
Show SMILES CC1(C)CCCN(C1)C(=O)c1coc(=O)c(Br)c1
Show InChI InChI=1S/C13H16BrNO3/c1-13(2)4-3-5-15(8-13)11(16)9-6-10(14)12(17)18-7-9/h6-7H,3-5,8H2,1-2H3
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n/an/a 400n/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)


Article DOI: 10.1021/cb3006165
BindingDB Entry DOI: 10.7270/Q2RJ4GWX
More data for this
Ligand-Target Pair
MKP-3


(Rattus norvegicus)
BDBM31698
PNG
(3-bromanyl-5-(3,3-dimethylpiperidin-1-yl)carbonyl-...)
Show SMILES CC1(C)CCCN(C1)C(=O)c1coc(=O)c(Br)c1
Show InChI InChI=1S/C13H16BrNO3/c1-13(2)4-3-5-15(8-13)11(16)9-6-10(14)12(17)18-7-9/h6-7H,3-5,8H2,1-2H3
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n/an/a 1.00E+4n/an/an/an/an/an/a



Sanford-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 (2009)


Article DOI: 10.1021/cb400150c
BindingDB Entry DOI: 10.7270/Q2W66J6B
More data for this
Ligand-Target Pair
heat shock 70kDa protein 8 isoform 1


(Homo sapiens (Human))
BDBM31698
PNG
(3-bromanyl-5-(3,3-dimethylpiperidin-1-yl)carbonyl-...)
Show SMILES CC1(C)CCCN(C1)C(=O)c1coc(=O)c(Br)c1
Show InChI InChI=1S/C13H16BrNO3/c1-13(2)4-3-5-15(8-13)11(16)9-6-10(14)12(17)18-7-9/h6-7H,3-5,8H2,1-2H3
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n/an/a 9.99E+5n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Sanford-Burnham Center for Chemical Genomics (SBCCG) Sanford-Burnham Medical Research Institute (San Diego, CA) NIH Molecular Libraries Screening Cen...


PubChem Bioassay (2007)


Article DOI: 10.1021/cb400371r
BindingDB Entry DOI: 10.7270/Q2MS3R62
More data for this
Ligand-Target Pair
POsterior Segregation family member (pos-1)


(Caenorhabditis elegans)
BDBM31698
PNG
(3-bromanyl-5-(3,3-dimethylpiperidin-1-yl)carbonyl-...)
Show SMILES CC1(C)CCCN(C1)C(=O)c1coc(=O)c(Br)c1
Show InChI InChI=1S/C13H16BrNO3/c1-13(2)4-3-5-15(8-13)11(16)9-6-10(14)12(17)18-7-9/h6-7H,3-5,8H2,1-2H3
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n/an/an/an/a 3.00E+5n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Broad Institute: MLPCN maternal gene expression Project ID: 2024 Keywords: Zinc finger, C. elegans, maternal gene expression, RNA-protein interac...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q28G8J4C
More data for this
Ligand-Target Pair
RecName: Full=Zinc finger protein mex-5


(Caenorhabditis elegans)
BDBM31698
PNG
(3-bromanyl-5-(3,3-dimethylpiperidin-1-yl)carbonyl-...)
Show SMILES CC1(C)CCCN(C1)C(=O)c1coc(=O)c(Br)c1
Show InChI InChI=1S/C13H16BrNO3/c1-13(2)4-3-5-15(8-13)11(16)9-6-10(14)12(17)18-7-9/h6-7H,3-5,8H2,1-2H3
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n/an/an/an/a 6.83E+4n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Broad Institute: MLPCN maternal gene expression Project ID: 2024 Keywords: Zinc finger, C. elegans, maternal gene expression, RNA-protein interac...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2D798VP
More data for this
Ligand-Target Pair
dTDP-4-dehydrorhamnose 3,5-epimerase RmlC


(Mycobacterium tuberculosis H37Rv)
BDBM31698
PNG
(3-bromanyl-5-(3,3-dimethylpiperidin-1-yl)carbonyl-...)
Show SMILES CC1(C)CCCN(C1)C(=O)c1coc(=O)c(Br)c1
Show InChI InChI=1S/C13H16BrNO3/c1-13(2)4-3-5-15(8-13)11(16)9-6-10(14)12(17)18-7-9/h6-7H,3-5,8H2,1-2H3
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n/an/a 4.90E+3n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Michael McNeil, Colorado State Universi...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2TD9VRT
More data for this
Ligand-Target Pair
DNA (cytosine-5)-methyltransferase 1 (DNMT1)


(Homo sapiens (Human))
BDBM31698
PNG
(3-bromanyl-5-(3,3-dimethylpiperidin-1-yl)carbonyl-...)
Show SMILES CC1(C)CCCN(C1)C(=O)c1coc(=O)c(Br)c1
Show InChI InChI=1S/C13H16BrNO3/c1-13(2)4-3-5-15(8-13)11(16)9-6-10(14)12(17)18-7-9/h6-7H,3-5,8H2,1-2H3
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n/an/a 2.92E+3n/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 (2012)


Article DOI: 10.1021/acschembio.6b00266
BindingDB Entry DOI: 10.7270/Q2NC5ZRN
More data for this
Ligand-Target Pair
G-protein subunit alpha-16


(Homo sapiens (Human))
BDBM31698
PNG
(3-bromanyl-5-(3,3-dimethylpiperidin-1-yl)carbonyl-...)
Show SMILES CC1(C)CCCN(C1)C(=O)c1coc(=O)c(Br)c1
Show InChI InChI=1S/C13H16BrNO3/c1-13(2)4-3-5-15(8-13)11(16)9-6-10(14)12(17)18-7-9/h6-7H,3-5,8H2,1-2H3
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n/an/an/an/a>2.99E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2CN72J7
More data for this
Ligand-Target Pair
trace amine-associated receptor 1


(Homo sapiens (Human))
BDBM31698
PNG
(3-bromanyl-5-(3,3-dimethylpiperidin-1-yl)carbonyl-...)
Show SMILES CC1(C)CCCN(C1)C(=O)c1coc(=O)c(Br)c1
Show InChI InChI=1S/C13H16BrNO3/c1-13(2)4-3-5-15(8-13)11(16)9-6-10(14)12(17)18-7-9/h6-7H,3-5,8H2,1-2H3
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n/an/a 2.41E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q280517J
More data for this
Ligand-Target Pair
trace amine-associated receptor 1


(Homo sapiens (Human))
BDBM31698
PNG
(3-bromanyl-5-(3,3-dimethylpiperidin-1-yl)carbonyl-...)
Show SMILES CC1(C)CCCN(C1)C(=O)c1coc(=O)c(Br)c1
Show InChI InChI=1S/C13H16BrNO3/c1-13(2)4-3-5-15(8-13)11(16)9-6-10(14)12(17)18-7-9/h6-7H,3-5,8H2,1-2H3
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n/an/an/an/a 827n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q24748HT
More data for this
Ligand-Target Pair
Heat Shock 70kDa Protein 1


(Homo sapiens (Human))
BDBM31698
PNG
(3-bromanyl-5-(3,3-dimethylpiperidin-1-yl)carbonyl-...)
Show SMILES CC1(C)CCCN(C1)C(=O)c1coc(=O)c(Br)c1
Show InChI InChI=1S/C13H16BrNO3/c1-13(2)4-3-5-15(8-13)11(16)9-6-10(14)12(17)18-7-9/h6-7H,3-5,8H2,1-2H3
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n/an/a 8.32E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Sanford-Burnham Center for Chemical Genomics (SBCCG) Sanford-Burnham Medical Research Institute (San Diego, CA) NIH Molecular Libraries Screening Cen...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2RF5SF5
More data for this
Ligand-Target Pair