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BDBM79412 (2E,5E)-2,5-bis(3,4-dimethoxybenzylidene)cyclopentanone::(2E,5E)-2,5-bis[(3,4-dimethoxyphenyl)methylidene]-1-cyclopentanone::(2E,5E)-2,5-bis[(3,4-dimethoxyphenyl)methylidene]cyclopentan-1-one::(2E,5E)-2,5-diveratrylidenecyclopentanone::MLS000586404::SMR000204767::cid_5714141

SMILES: COc1ccc(\C=C2/CC\C(=C/c3ccc(OC)c(OC)c3)C2=O)cc1OC

InChI Key: InChIKey=NADUQCROZYTGPH-JYFOCSDGSA-N

Data: 7 IC50

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 = 79412   
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
perilipin-1


(Homo sapiens (Human))
BDBM79412
PNG
((2E,5E)-2,5-bis(3,4-dimethoxybenzylidene)cyclopent...)
Show SMILES COc1ccc(\C=C2/CC\C(=C/c3ccc(OC)c(OC)c3)C2=O)cc1OC
Show InChI InChI=1S/C23H24O5/c1-25-19-9-5-15(13-21(19)27-3)11-17-7-8-18(23(17)24)12-16-6-10-20(26-2)22(14-16)28-4/h5-6,9-14H,7-8H2,1-4H3/b17-11+,18-12+
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n/an/a 5.60E+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 (2011)


BindingDB Entry DOI: 10.7270/Q2HT2MS2
More data for this
Ligand-Target Pair
perilipin-5


(Homo sapiens (Human))
BDBM79412
PNG
((2E,5E)-2,5-bis(3,4-dimethoxybenzylidene)cyclopent...)
Show SMILES COc1ccc(\C=C2/CC\C(=C/c3ccc(OC)c(OC)c3)C2=O)cc1OC
Show InChI InChI=1S/C23H24O5/c1-25-19-9-5-15(13-21(19)27-3)11-17-7-8-18(23(17)24)12-16-6-10-20(26-2)22(14-16)28-4/h5-6,9-14H,7-8H2,1-4H3/b17-11+,18-12+
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n/an/a 5.24E+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 (2011)


BindingDB Entry DOI: 10.7270/Q2D21W3H
More data for this
Ligand-Target Pair
Alpha trans-inducing protein (VP16)


(Human herpesvirus 1 (strain 17) (HHV-1) (Human her...)
BDBM79412
PNG
((2E,5E)-2,5-bis(3,4-dimethoxybenzylidene)cyclopent...)
Show SMILES COc1ccc(\C=C2/CC\C(=C/c3ccc(OC)c(OC)c3)C2=O)cc1OC
Show InChI InChI=1S/C23H24O5/c1-25-19-9-5-15(13-21(19)27-3)11-17-7-8-18(23(17)24)12-16-6-10-20(26-2)22(14-16)28-4/h5-6,9-14H,7-8H2,1-4H3/b17-11+,18-12+
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n/an/a 2.11E+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/Q2D21W6V
More data for this
Ligand-Target Pair
nuclear receptor coactivator 3 isoform a


(Homo sapiens (Human))
BDBM79412
PNG
((2E,5E)-2,5-bis(3,4-dimethoxybenzylidene)cyclopent...)
Show SMILES COc1ccc(\C=C2/CC\C(=C/c3ccc(OC)c(OC)c3)C2=O)cc1OC
Show InChI InChI=1S/C23H24O5/c1-25-19-9-5-15(13-21(19)27-3)11-17-7-8-18(23(17)24)12-16-6-10-20(26-2)22(14-16)28-4/h5-6,9-14H,7-8H2,1-4H3/b17-11+,18-12+
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n/an/a 6.34E+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 (2012)


BindingDB Entry DOI: 10.7270/Q2HT2MXV
More data for this
Ligand-Target Pair
nuclear receptor coactivator 3 isoform a


(Homo sapiens (Human))
BDBM79412
PNG
((2E,5E)-2,5-bis(3,4-dimethoxybenzylidene)cyclopent...)
Show SMILES COc1ccc(\C=C2/CC\C(=C/c3ccc(OC)c(OC)c3)C2=O)cc1OC
Show InChI InChI=1S/C23H24O5/c1-25-19-9-5-15(13-21(19)27-3)11-17-7-8-18(23(17)24)12-16-6-10-20(26-2)22(14-16)28-4/h5-6,9-14H,7-8H2,1-4H3/b17-11+,18-12+
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n/an/a 5.96E+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 (2012)


BindingDB Entry DOI: 10.7270/Q2C24V0K
More data for this
Ligand-Target Pair
Nuclear receptor coactivator 1


(Homo sapiens (Human))
BDBM79412
PNG
((2E,5E)-2,5-bis(3,4-dimethoxybenzylidene)cyclopent...)
Show SMILES COc1ccc(\C=C2/CC\C(=C/c3ccc(OC)c(OC)c3)C2=O)cc1OC
Show InChI InChI=1S/C23H24O5/c1-25-19-9-5-15(13-21(19)27-3)11-17-7-8-18(23(17)24)12-16-6-10-20(26-2)22(14-16)28-4/h5-6,9-14H,7-8H2,1-4H3/b17-11+,18-12+
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n/an/a>3.59E+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/Q2794387
More data for this
Ligand-Target Pair
Nuclear receptor coactivator 1


(Homo sapiens (Human))
BDBM79412
PNG
((2E,5E)-2,5-bis(3,4-dimethoxybenzylidene)cyclopent...)
Show SMILES COc1ccc(\C=C2/CC\C(=C/c3ccc(OC)c(OC)c3)C2=O)cc1OC
Show InChI InChI=1S/C23H24O5/c1-25-19-9-5-15(13-21(19)27-3)11-17-7-8-18(23(17)24)12-16-6-10-20(26-2)22(14-16)28-4/h5-6,9-14H,7-8H2,1-4H3/b17-11+,18-12+
PDB
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n/an/a>3.59E+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/Q28914F2
More data for this
Ligand-Target Pair