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BDBM50240379 (1E,4E)-1,5-Diphenyl-penta-1,4-dien-3-one::1,5-diphenylpenta-1,4-dien-3-one::CHEMBL17201::cid_640180

SMILES: O=C(\C=C\c1ccccc1)/C=C/c1ccccc1

InChI Key: InChIKey=WMKGGPCROCCUDY-PHEQNACWSA-N

Data: 11 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 11 hits for monomerid = 50240379   
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))
BDBM50240379
PNG
((1E,4E)-1,5-Diphenyl-penta-1,4-dien-3-one | 1,5-di...)
Show SMILES O=C(\C=C\c1ccccc1)/C=C/c1ccccc1
Show InChI InChI=1S/C17H14O/c18-17(13-11-15-7-3-1-4-8-15)14-12-16-9-5-2-6-10-16/h1-14H/b13-11+,14-12+
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n/an/a 1.52E+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))
BDBM50240379
PNG
((1E,4E)-1,5-Diphenyl-penta-1,4-dien-3-one | 1,5-di...)
Show SMILES O=C(\C=C\c1ccccc1)/C=C/c1ccccc1
Show InChI InChI=1S/C17H14O/c18-17(13-11-15-7-3-1-4-8-15)14-12-16-9-5-2-6-10-16/h1-14H/b13-11+,14-12+
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n/an/a 1.48E+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
SKiNhead family member (skn-1)


(Caenorhabditis elegans)
BDBM50240379
PNG
((1E,4E)-1,5-Diphenyl-penta-1,4-dien-3-one | 1,5-di...)
Show SMILES O=C(\C=C\c1ccccc1)/C=C/c1ccccc1
Show InChI InChI=1S/C17H14O/c18-17(13-11-15-7-3-1-4-8-15)14-12-16-9-5-2-6-10-16/h1-14H/b13-11+,14-12+
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n/an/a 1.62E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2DV1HH8
More data for this
Ligand-Target Pair
Protein HSP-16.2


(Caenorhabditis elegans)
BDBM50240379
PNG
((1E,4E)-1,5-Diphenyl-penta-1,4-dien-3-one | 1,5-di...)
Show SMILES O=C(\C=C\c1ccccc1)/C=C/c1ccccc1
Show InChI InChI=1S/C17H14O/c18-17(13-11-15-7-3-1-4-8-15)14-12-16-9-5-2-6-10-16/h1-14H/b13-11+,14-12+
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n/an/a>6.40E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q21J98BN
More data for this
Ligand-Target Pair
Cytochrome P450 2D6


(Homo sapiens (Human))
BDBM50240379
PNG
((1E,4E)-1,5-Diphenyl-penta-1,4-dien-3-one | 1,5-di...)
Show SMILES O=C(\C=C\c1ccccc1)/C=C/c1ccccc1
Show InChI InChI=1S/C17H14O/c18-17(13-11-15-7-3-1-4-8-15)14-12-16-9-5-2-6-10-16/h1-14H/b13-11+,14-12+
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Article
PubMed
n/an/a 6.85E+7n/an/an/an/an/an/a



Vrije Universiteit

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CYP2D6


Eur J Med Chem 43: 1621-31 (2008)


Article DOI: 10.1016/j.ejmech.2007.10.034
BindingDB Entry DOI: 10.7270/Q26D5SRW
More data for this
Ligand-Target Pair
Coagulation factor VII/tissue factor


(Homo sapiens (Human))
BDBM50240379
PNG
((1E,4E)-1,5-Diphenyl-penta-1,4-dien-3-one | 1,5-di...)
Show SMILES O=C(\C=C\c1ccccc1)/C=C/c1ccccc1
Show InChI InChI=1S/C17H14O/c18-17(13-11-15-7-3-1-4-8-15)14-12-16-9-5-2-6-10-16/h1-14H/b13-11+,14-12+
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Article
n/an/a 0.0530n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of tissue factor in Homo sapiens (human) THP1-cells using factor 10a chromogenic substrate assessed as inhibition of LPS-iduced procoagula...


Citation and Details

Article DOI: 10.1007/s00044-012-0330-5
BindingDB Entry DOI: 10.7270/Q23F4SJ7
More data for this
Ligand-Target Pair
Cytochrome P450 1A


(Homo sapiens (Human))
BDBM50240379
PNG
((1E,4E)-1,5-Diphenyl-penta-1,4-dien-3-one | 1,5-di...)
Show SMILES O=C(\C=C\c1ccccc1)/C=C/c1ccccc1
Show InChI InChI=1S/C17H14O/c18-17(13-11-15-7-3-1-4-8-15)14-12-16-9-5-2-6-10-16/h1-14H/b13-11+,14-12+
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n/an/a 3.70E+3n/an/an/an/an/an/a



Vrije Universiteit

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CYP1A2


Eur J Med Chem 43: 1621-31 (2008)


Article DOI: 10.1016/j.ejmech.2007.10.034
BindingDB Entry DOI: 10.7270/Q26D5SRW
More data for this
Ligand-Target Pair
Cytochrome P450 1A


(Homo sapiens (Human))
BDBM50240379
PNG
((1E,4E)-1,5-Diphenyl-penta-1,4-dien-3-one | 1,5-di...)
Show SMILES O=C(\C=C\c1ccccc1)/C=C/c1ccccc1
Show InChI InChI=1S/C17H14O/c18-17(13-11-15-7-3-1-4-8-15)14-12-16-9-5-2-6-10-16/h1-14H/b13-11+,14-12+
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PubMed
n/an/a 3.70E+3n/an/an/an/an/an/a



Vrije Universiteit

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CYP1A2


Eur J Med Chem 43: 1621-31 (2008)


Article DOI: 10.1016/j.ejmech.2007.10.034
BindingDB Entry DOI: 10.7270/Q26D5SRW
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (Human))
BDBM50240379
PNG
((1E,4E)-1,5-Diphenyl-penta-1,4-dien-3-one | 1,5-di...)
Show SMILES O=C(\C=C\c1ccccc1)/C=C/c1ccccc1
Show InChI InChI=1S/C17H14O/c18-17(13-11-15-7-3-1-4-8-15)14-12-16-9-5-2-6-10-16/h1-14H/b13-11+,14-12+
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n/an/a 6.73E+7n/an/an/an/an/an/a



Vrije Universiteit

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CYP2C9


Eur J Med Chem 43: 1621-31 (2008)


Article DOI: 10.1016/j.ejmech.2007.10.034
BindingDB Entry DOI: 10.7270/Q26D5SRW
More data for this
Ligand-Target Pair
Cytochrome P450 2D6


(Homo sapiens (Human))
BDBM50240379
PNG
((1E,4E)-1,5-Diphenyl-penta-1,4-dien-3-one | 1,5-di...)
Show SMILES O=C(\C=C\c1ccccc1)/C=C/c1ccccc1
Show InChI InChI=1S/C17H14O/c18-17(13-11-15-7-3-1-4-8-15)14-12-16-9-5-2-6-10-16/h1-14H/b13-11+,14-12+
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Article
PubMed
n/an/a 6.85E+7n/an/an/an/an/an/a



Vrije Universiteit

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CYP2D6


Eur J Med Chem 43: 1621-31 (2008)


Article DOI: 10.1016/j.ejmech.2007.10.034
BindingDB Entry DOI: 10.7270/Q26D5SRW
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (Human))
BDBM50240379
PNG
((1E,4E)-1,5-Diphenyl-penta-1,4-dien-3-one | 1,5-di...)
Show SMILES O=C(\C=C\c1ccccc1)/C=C/c1ccccc1
Show InChI InChI=1S/C17H14O/c18-17(13-11-15-7-3-1-4-8-15)14-12-16-9-5-2-6-10-16/h1-14H/b13-11+,14-12+
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Article
PubMed
n/an/a 6.73E+7n/an/an/an/an/an/a



Vrije Universiteit

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CYP2C9


Eur J Med Chem 43: 1621-31 (2008)


Article DOI: 10.1016/j.ejmech.2007.10.034
BindingDB Entry DOI: 10.7270/Q26D5SRW
More data for this
Ligand-Target Pair