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BDBM34736 1,4-diketo-3-(4-methoxyphenyl)naphthalene-2-carboxylic acid ethyl ester::3-(4-methoxyphenyl)-1,4-dioxo-2-naphthalenecarboxylic acid ethyl ester::MLS000573105::SMR000185036::cid_790561::ethyl 3-(4-methoxyphenyl)-1,4-bis(oxidanylidene)naphthalene-2-carboxylate::ethyl 3-(4-methoxyphenyl)-1,4-dioxo-1,4-dihydro-2-naphthalenecarboxylate::ethyl 3-(4-methoxyphenyl)-1,4-dioxonaphthalene-2-carboxylate

SMILES: CCOC(=O)C1=C(C(=O)c2ccccc2C1=O)c1ccc(OC)cc1

InChI Key: InChIKey=XXVSDVHJZIFLCW-UHFFFAOYSA-N

Data: 8 IC50  2 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 10 hits for monomerid = 34736   
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))
BDBM34736
PNG
(1,4-diketo-3-(4-methoxyphenyl)naphthalene-2-carbox...)
Show SMILES CCOC(=O)C1=C(C(=O)c2ccccc2C1=O)c1ccc(OC)cc1 |t:5|
Show InChI InChI=1S/C20H16O5/c1-3-25-20(23)17-16(12-8-10-13(24-2)11-9-12)18(21)14-6-4-5-7-15(14)19(17)22/h4-11H,3H2,1-2H3
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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 HSP 90-alpha


(Homo sapiens (Human))
BDBM34736
PNG
(1,4-diketo-3-(4-methoxyphenyl)naphthalene-2-carbox...)
Show SMILES CCOC(=O)C1=C(C(=O)c2ccccc2C1=O)c1ccc(OC)cc1 |t:5|
Show InChI InChI=1S/C20H16O5/c1-3-25-20(23)17-16(12-8-10-13(24-2)11-9-12)18(21)14-6-4-5-7-15(14)19(17)22/h4-11H,3H2,1-2H3
PDB
MMDB

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n/an/a 322n/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 (2009)


BindingDB Entry DOI: 10.7270/Q25T3HXW
More data for this
Ligand-Target Pair
MPI protein


(Homo sapiens (Human))
BDBM34736
PNG
(1,4-diketo-3-(4-methoxyphenyl)naphthalene-2-carbox...)
Show SMILES CCOC(=O)C1=C(C(=O)c2ccccc2C1=O)c1ccc(OC)cc1 |t:5|
Show InChI InChI=1S/C20H16O5/c1-3-25-20(23)17-16(12-8-10-13(24-2)11-9-12)18(21)14-6-4-5-7-15(14)19(17)22/h4-11H,3H2,1-2H3
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n/an/a 4.24E+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)


BindingDB Entry DOI: 10.7270/Q2C827QV
More data for this
Ligand-Target Pair
streptokinase A precursor


(Streptococcus pyogenes M1 GAS)
BDBM34736
PNG
(1,4-diketo-3-(4-methoxyphenyl)naphthalene-2-carbox...)
Show SMILES CCOC(=O)C1=C(C(=O)c2ccccc2C1=O)c1ccc(OC)cc1 |t:5|
Show InChI InChI=1S/C20H16O5/c1-3-25-20(23)17-16(12-8-10-13(24-2)11-9-12)18(21)14-6-4-5-7-15(14)19(17)22/h4-11H,3H2,1-2H3
PDB
MMDB

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n/an/an/an/a 1.50E+5n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: Group A streptococcus, GAS, streptokinase, expression, virulence, inhibition, dose response, EC50 Assay Overview: The goal of this assa...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2736PBV
More data for this
Ligand-Target Pair
putative hexokinase HKDC1


(Homo sapiens (Human))
BDBM34736
PNG
(1,4-diketo-3-(4-methoxyphenyl)naphthalene-2-carbox...)
Show SMILES CCOC(=O)C1=C(C(=O)c2ccccc2C1=O)c1ccc(OC)cc1 |t:5|
Show InChI InChI=1S/C20H16O5/c1-3-25-20(23)17-16(12-8-10-13(24-2)11-9-12)18(21)14-6-4-5-7-15(14)19(17)22/h4-11H,3H2,1-2H3
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n/an/a 2.44E+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 (2011)


BindingDB Entry DOI: 10.7270/Q23F4N3R
More data for this
Ligand-Target Pair
Hsf1 protein


(Mus musculus)
BDBM34736
PNG
(1,4-diketo-3-(4-methoxyphenyl)naphthalene-2-carbox...)
Show SMILES CCOC(=O)C1=C(C(=O)c2ccccc2C1=O)c1ccc(OC)cc1 |t:5|
Show InChI InChI=1S/C20H16O5/c1-3-25-20(23)17-16(12-8-10-13(24-2)11-9-12)18(21)14-6-4-5-7-15(14)19(17)22/h4-11H,3H2,1-2H3
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n/an/an/an/a 5.22E+4n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: Heat Shock Factor-1 (HSF-1), Stress Response, MG132, NIH3T3, Luminescence Assay Overview: Confirmation testing of small molecules identifie...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2P55KXK
More data for this
Ligand-Target Pair
XBP1


(Homo sapiens (Human))
BDBM34736
PNG
(1,4-diketo-3-(4-methoxyphenyl)naphthalene-2-carbox...)
Show SMILES CCOC(=O)C1=C(C(=O)c2ccccc2C1=O)c1ccc(OC)cc1 |t:5|
Show InChI InChI=1S/C20H16O5/c1-3-25-20(23)17-16(12-8-10-13(24-2)11-9-12)18(21)14-6-4-5-7-15(14)19(17)22/h4-11H,3H2,1-2H3
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n/an/a 1.00E+4n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Dr. Randal Kaufman, Univer...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2NK3CGB
More data for this
Ligand-Target Pair
putative hexokinase HKDC1


(Homo sapiens (Human))
BDBM34736
PNG
(1,4-diketo-3-(4-methoxyphenyl)naphthalene-2-carbox...)
Show SMILES CCOC(=O)C1=C(C(=O)c2ccccc2C1=O)c1ccc(OC)cc1 |t:5|
Show InChI InChI=1S/C20H16O5/c1-3-25-20(23)17-16(12-8-10-13(24-2)11-9-12)18(21)14-6-4-5-7-15(14)19(17)22/h4-11H,3H2,1-2H3
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n/an/a 2.32E+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 (2011)


BindingDB Entry DOI: 10.7270/Q2W094D4
More data for this
Ligand-Target Pair
DNA damage-inducible transcript 3 protein


(Mus musculus)
BDBM34736
PNG
(1,4-diketo-3-(4-methoxyphenyl)naphthalene-2-carbox...)
Show SMILES CCOC(=O)C1=C(C(=O)c2ccccc2C1=O)c1ccc(OC)cc1 |t:5|
Show InChI InChI=1S/C20H16O5/c1-3-25-20(23)17-16(12-8-10-13(24-2)11-9-12)18(21)14-6-4-5-7-15(14)19(17)22/h4-11H,3H2,1-2H3
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n/an/a 9.07E+3n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Dr. Randal Kaufman, Univer...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q28C9TQN
More data for this
Ligand-Target Pair
DNA damage-inducible transcript 3 protein


(Mus musculus)
BDBM34736
PNG
(1,4-diketo-3-(4-methoxyphenyl)naphthalene-2-carbox...)
Show SMILES CCOC(=O)C1=C(C(=O)c2ccccc2C1=O)c1ccc(OC)cc1 |t:5|
Show InChI InChI=1S/C20H16O5/c1-3-25-20(23)17-16(12-8-10-13(24-2)11-9-12)18(21)14-6-4-5-7-15(14)19(17)22/h4-11H,3H2,1-2H3
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n/an/a 9.07E+3n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Dr. Randal Kaufman, Univer...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2PC30VZ
More data for this
Ligand-Target Pair