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SMILES: CC(=O)C(C(C)=O)C1(O)C(=O)c2ccccc2C1=O

InChI Key: InChIKey=UNWNYZDNRAAMSU-UHFFFAOYSA-N

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 7 hits for monomerid = 64787   
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
Serine/threonine-protein phosphatase PP1-alpha catalytic subunit


(Homo sapiens (Human))
BDBM64787
PNG
(2-(1-Acetyl-2-oxo-propyl)-2-hydroxy-indan-1,3-dion...)
Show SMILES CC(=O)C(C(C)=O)C1(O)C(=O)c2ccccc2C1=O
Show InChI InChI=1S/C14H12O5/c1-7(15)11(8(2)16)14(19)12(17)9-5-3-4-6-10(9)13(14)18/h3-6,11,19H,1-2H3
PDB
MMDB

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n/an/a 6.70E+4n/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) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q27M06CD
More data for this
Ligand-Target Pair
Serine/threonine-protein phosphatase


(Homo sapiens (Human))
BDBM64787
PNG
(2-(1-Acetyl-2-oxo-propyl)-2-hydroxy-indan-1,3-dion...)
Show SMILES CC(=O)C(C(C)=O)C1(O)C(=O)c2ccccc2C1=O
Show InChI InChI=1S/C14H12O5/c1-7(15)11(8(2)16)14(19)12(17)9-5-3-4-6-10(9)13(14)18/h3-6,11,19H,1-2H3
PDB
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UniChem
PCBioAssay
n/an/a 2.23E+4n/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) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q23T9FN4
More data for this
Ligand-Target Pair
Apoptotic protease-activating factor 1


(Homo sapiens (Human))
BDBM64787
PNG
(2-(1-Acetyl-2-oxo-propyl)-2-hydroxy-indan-1,3-dion...)
Show SMILES CC(=O)C(C(C)=O)C1(O)C(=O)c2ccccc2C1=O
Show InChI InChI=1S/C14H12O5/c1-7(15)11(8(2)16)14(19)12(17)9-5-3-4-6-10(9)13(14)18/h3-6,11,19H,1-2H3
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n/an/a 9.72E+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 (SBIMR, San Diego, C...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2JS9NZB
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 2


(Homo sapiens (Human))
BDBM64787
PNG
(2-(1-Acetyl-2-oxo-propyl)-2-hydroxy-indan-1,3-dion...)
Show SMILES CC(=O)C(C(C)=O)C1(O)C(=O)c2ccccc2C1=O
Show InChI InChI=1S/C14H12O5/c1-7(15)11(8(2)16)14(19)12(17)9-5-3-4-6-10(9)13(14)18/h3-6,11,19H,1-2H3
PDB

KEGG

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antibodypedia
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n/an/a 9.10E+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) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q2WS8RXV
More data for this
Ligand-Target Pair
Caspase-9


(Homo sapiens (Human))
BDBM64787
PNG
(2-(1-Acetyl-2-oxo-propyl)-2-hydroxy-indan-1,3-dion...)
Show SMILES CC(=O)C(C(C)=O)C1(O)C(=O)c2ccccc2C1=O
Show InChI InChI=1S/C14H12O5/c1-7(15)11(8(2)16)14(19)12(17)9-5-3-4-6-10(9)13(14)18/h3-6,11,19H,1-2H3
PDB
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n/an/a 1.15E+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 (SBIMR, San Diego, C...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q25M647F
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM64787
PNG
(2-(1-Acetyl-2-oxo-propyl)-2-hydroxy-indan-1,3-dion...)
Show SMILES CC(=O)C(C(C)=O)C1(O)C(=O)c2ccccc2C1=O
Show InChI InChI=1S/C14H12O5/c1-7(15)11(8(2)16)14(19)12(17)9-5-3-4-6-10(9)13(14)18/h3-6,11,19H,1-2H3
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n/an/a>7.35E+4n/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 (2012)


BindingDB Entry DOI: 10.7270/Q2RB736G
More data for this
Ligand-Target Pair
Apoptotic protease-activating factor 1


(Homo sapiens (Human))
BDBM64787
PNG
(2-(1-Acetyl-2-oxo-propyl)-2-hydroxy-indan-1,3-dion...)
Show SMILES CC(=O)C(C(C)=O)C1(O)C(=O)c2ccccc2C1=O
Show InChI InChI=1S/C14H12O5/c1-7(15)11(8(2)16)14(19)12(17)9-5-3-4-6-10(9)13(14)18/h3-6,11,19H,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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PC sid
UniChem
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n/an/a>1.00E+5n/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 (SBIMR, San Diego, C...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2F18X8S
More data for this
Ligand-Target Pair