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BDBM34677 3-(4-methylbenzoyl)benzo[g][1]benzofuran-4,5-dione::3-(4-methylbenzoyl)naphtho[1,2-b]furan-4,5-dione::3-(4-methylphenyl)carbonylbenzo[g][1]benzofuran-4,5-dione::3-[(4-methylphenyl)-oxomethyl]benzo[g]benzofuran-4,5-dione::3-p-toluoylbenzo[g]benzofuran-4,5-quinone::MLS000532156::SMR000137097::cid_1736341

SMILES: Cc1ccc(cc1)C(=O)c1coc-2c1C(=O)C(=O)c1ccccc-21

InChI Key: InChIKey=OOYQRVPZOGWCNP-UHFFFAOYSA-N

Data: 4 IC50  5 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 9 hits for monomerid = 34677   
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
MPI protein


(Homo sapiens (Human))
BDBM34677
PNG
(3-(4-methylbenzoyl)benzo[g][1]benzofuran-4,5-dione...)
Show SMILES Cc1ccc(cc1)C(=O)c1coc-2c1C(=O)C(=O)c1ccccc-21
Show InChI InChI=1S/C20H12O4/c1-11-6-8-12(9-7-11)17(21)15-10-24-20-14-5-3-2-4-13(14)18(22)19(23)16(15)20/h2-10H,1H3
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n/an/a>5.00E+4n/an/an/an/a7.423



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
The purpose of this assay is to identify non-competititve inhibitors of human PMI. This is accomplished by using a G6PD- NADPH-coupled assay. In the ...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2CF9NFM
More data for this
Ligand-Target Pair
heat shock protein 90


(Candida albicans)
BDBM34677
PNG
(3-(4-methylbenzoyl)benzo[g][1]benzofuran-4,5-dione...)
Show SMILES Cc1ccc(cc1)C(=O)c1coc-2c1C(=O)C(=O)c1ccccc-21
Show InChI InChI=1S/C20H12O4/c1-11-6-8-12(9-7-11)17(21)15-10-24-20-14-5-3-2-4-13(14)18(22)19(23)16(15)20/h2-10H,1H3
PDB
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n/an/an/an/a 226n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Broad Institute: Reversing Antifungal Drug Resistance Project ID: 2037 Keywords: Candida albicans, drug resistance, fluconazole, Hsp90, Calcineurin, ...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2MC8XGG
More data for this
Ligand-Target Pair
heat shock protein 90


(Candida albicans)
BDBM34677
PNG
(3-(4-methylbenzoyl)benzo[g][1]benzofuran-4,5-dione...)
Show SMILES Cc1ccc(cc1)C(=O)c1coc-2c1C(=O)C(=O)c1ccccc-21
Show InChI InChI=1S/C20H12O4/c1-11-6-8-12(9-7-11)17(21)15-10-24-20-14-5-3-2-4-13(14)18(22)19(23)16(15)20/h2-10H,1H3
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n/an/an/an/a 7.66E+3n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: Candida albicans, drug resistance, Fluconazole, Hsp90, stress response Assay Overview: Method for determining if compound acts as Hsp90 inh...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2GM85R4
More data for this
Ligand-Target Pair
calcineurin A1, putative


(Candida dubliniensis CD36)
BDBM34677
PNG
(3-(4-methylbenzoyl)benzo[g][1]benzofuran-4,5-dione...)
Show SMILES Cc1ccc(cc1)C(=O)c1coc-2c1C(=O)C(=O)c1ccccc-21
Show InChI InChI=1S/C20H12O4/c1-11-6-8-12(9-7-11)17(21)15-10-24-20-14-5-3-2-4-13(14)18(22)19(23)16(15)20/h2-10H,1H3
PDB

KEGG

UniProtKB/TrEMBL

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n/an/an/an/a 9.27E+3n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: Candida albicans, drug resistance, Fluconazole, calcineurin, stress response Assay Overview: Method for determining if compound acts as Ca...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2ZP44K0
More data for this
Ligand-Target Pair
perilipin-5


(Homo sapiens (Human))
BDBM34677
PNG
(3-(4-methylbenzoyl)benzo[g][1]benzofuran-4,5-dione...)
Show SMILES Cc1ccc(cc1)C(=O)c1coc-2c1C(=O)C(=O)c1ccccc-21
Show InChI InChI=1S/C20H12O4/c1-11-6-8-12(9-7-11)17(21)15-10-24-20-14-5-3-2-4-13(14)18(22)19(23)16(15)20/h2-10H,1H3
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n/an/a 2.53E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q24B2ZW9
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM34677
PNG
(3-(4-methylbenzoyl)benzo[g][1]benzofuran-4,5-dione...)
Show SMILES Cc1ccc(cc1)C(=O)c1coc-2c1C(=O)C(=O)c1ccccc-21
Show InChI InChI=1S/C20H12O4/c1-11-6-8-12(9-7-11)17(21)15-10-24-20-14-5-3-2-4-13(14)18(22)19(23)16(15)20/h2-10H,1H3
PDB

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n/an/an/an/a>6.46E+4n/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 (SRISMC) Center Affiliation: The Scripps Research Institute, TS...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2KK99CT
More data for this
Ligand-Target Pair
Hepatocyte nuclear factor 4-alpha


(Homo sapiens (Human))
BDBM34677
PNG
(3-(4-methylbenzoyl)benzo[g][1]benzofuran-4,5-dione...)
Show SMILES Cc1ccc(cc1)C(=O)c1coc-2c1C(=O)C(=O)c1ccccc-21
Show InChI InChI=1S/C20H12O4/c1-11-6-8-12(9-7-11)17(21)15-10-24-20-14-5-3-2-4-13(14)18(22)19(23)16(15)20/h2-10H,1H3
PDB
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n/an/a 3.80E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2736PH3
More data for this
Ligand-Target Pair
perilipin-1


(Homo sapiens (Human))
BDBM34677
PNG
(3-(4-methylbenzoyl)benzo[g][1]benzofuran-4,5-dione...)
Show SMILES Cc1ccc(cc1)C(=O)c1coc-2c1C(=O)C(=O)c1ccccc-21
Show InChI InChI=1S/C20H12O4/c1-11-6-8-12(9-7-11)17(21)15-10-24-20-14-5-3-2-4-13(14)18(22)19(23)16(15)20/h2-10H,1H3
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n/an/a 3.88E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2CV4GBF
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM34677
PNG
(3-(4-methylbenzoyl)benzo[g][1]benzofuran-4,5-dione...)
Show SMILES Cc1ccc(cc1)C(=O)c1coc-2c1C(=O)C(=O)c1ccccc-21
Show InChI InChI=1S/C20H12O4/c1-11-6-8-12(9-7-11)17(21)15-10-24-20-14-5-3-2-4-13(14)18(22)19(23)16(15)20/h2-10H,1H3
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n/an/an/an/a>8.92E+4n/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 (SRISMC) Center Affiliation: The Scripps Research Institute, TS...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2QC0233
More data for this
Ligand-Target Pair