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BDBM23928 1,3-dimethoxy-5-[(E)-2-(4-methoxyphenyl)ethenyl]benzene::CHEMBL296411::trans-Stilbene Derivative, 4a

SMILES: COc1ccc(\C=C\c2cc(OC)cc(OC)c2)cc1

InChI Key: InChIKey=GDHNBPHYVRHYCC-SNAWJCMRSA-N

Data: 2 KI  10 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 14 hits for monomerid = 23928   
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
Aryl Hydrocarbon Receptor (AhR)


(Oryctolagus cuniculus (rabbit))
BDBM23928
PNG
(1,3-dimethoxy-5-[(E)-2-(4-methoxyphenyl)ethenyl]be...)
Show SMILES COc1ccc(\C=C\c2cc(OC)cc(OC)c2)cc1
Show InChI InChI=1S/C17H18O3/c1-18-15-8-6-13(7-9-15)4-5-14-10-16(19-2)12-17(11-14)20-3/h4-12H,1-3H3/b5-4+
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PubMed
7.70 -10.3n/an/an/an/an/a7.64



Institut Claudius Regaud



Assay Description
Cytosols from rabbit liver were incubated with [3H]-TCDD and 12 concentrations of unlabeled test ligands. IC50 values were determined using the itera...


J Med Chem 48: 287-91 (2005)


Article DOI: 10.1021/jm0498194
BindingDB Entry DOI: 10.7270/Q2WM1BQT
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM23928
PNG
(1,3-dimethoxy-5-[(E)-2-(4-methoxyphenyl)ethenyl]be...)
Show SMILES COc1ccc(\C=C\c2cc(OC)cc(OC)c2)cc1
Show InChI InChI=1S/C17H18O3/c1-18-15-8-6-13(7-9-15)4-5-14-10-16(19-2)12-17(11-14)20-3/h4-12H,1-3H3/b5-4+
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261n/an/an/an/an/an/an/an/a



Institut Claudius Regaud



Assay Description
Cytosols from MCF-7 cells expressed ER-alpha isoform were incubated with [3H]-estradiol and eight concentrations of unlabeled test ligands. IC50 val...


J Med Chem 48: 287-91 (2005)


Article DOI: 10.1021/jm0498194
BindingDB Entry DOI: 10.7270/Q2WM1BQT
More data for this
Ligand-Target Pair
Cytochrome P450 1B1


(Homo sapiens)
BDBM23928
PNG
(1,3-dimethoxy-5-[(E)-2-(4-methoxyphenyl)ethenyl]be...)
Show SMILES COc1ccc(\C=C\c2cc(OC)cc(OC)c2)cc1
Show InChI InChI=1S/C17H18O3/c1-18-15-8-6-13(7-9-15)4-5-14-10-16(19-2)12-17(11-14)20-3/h4-12H,1-3H3/b5-4+
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PubMed
n/an/a 790n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Inhibition of ethoxyresorufin O-deethylation (EROD) in bicistronic bacterial membranes expressing human cytochrome P450 1B1


J Med Chem 45: 160-4 (2001)


Article DOI: 10.1021/jm010298j
BindingDB Entry DOI: 10.7270/Q2668CGD
More data for this
Ligand-Target Pair
Cytochrome P450 1A1


(Homo sapiens (Human))
BDBM23928
PNG
(1,3-dimethoxy-5-[(E)-2-(4-methoxyphenyl)ethenyl]be...)
Show SMILES COc1ccc(\C=C\c2cc(OC)cc(OC)c2)cc1
Show InChI InChI=1S/C17H18O3/c1-18-15-8-6-13(7-9-15)4-5-14-10-16(19-2)12-17(11-14)20-3/h4-12H,1-3H3/b5-4+
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n/an/a 830n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Inhibition of ethoxyresorufin O-deethylation (EROD) in bicistronic bacterial membranes epressing human cytochrome P450 1A1


J Med Chem 45: 160-4 (2001)


Article DOI: 10.1021/jm010298j
BindingDB Entry DOI: 10.7270/Q2668CGD
More data for this
Ligand-Target Pair
Ribosyldihydronicotinamide dehydrogenase [quinone]


(Homo sapiens (Human))
BDBM23928
PNG
(1,3-dimethoxy-5-[(E)-2-(4-methoxyphenyl)ethenyl]be...)
Show SMILES COc1ccc(\C=C\c2cc(OC)cc(OC)c2)cc1
Show InChI InChI=1S/C17H18O3/c1-18-15-8-6-13(7-9-15)4-5-14-10-16(19-2)12-17(11-14)20-3/h4-12H,1-3H3/b5-4+
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PubMed
n/an/a 1.46E+4n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of human quinone reductase 2 expressed in Escherichia coli BL21(DE3) using N-methyldihydronicotinamide as co-substrate


Bioorg Med Chem 21: 6022-37 (2013)


Article DOI: 10.1016/j.bmc.2013.07.037
BindingDB Entry DOI: 10.7270/Q21R6RX0
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Rattus norvegicus)
BDBM23928
PNG
(1,3-dimethoxy-5-[(E)-2-(4-methoxyphenyl)ethenyl]be...)
Show SMILES COc1ccc(\C=C\c2cc(OC)cc(OC)c2)cc1
Show InChI InChI=1S/C17H18O3/c1-18-15-8-6-13(7-9-15)4-5-14-10-16(19-2)12-17(11-14)20-3/h4-12H,1-3H3/b5-4+
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n/an/an/an/a 1.70E+3n/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Agonist activity at rat TRPA1 expressed in HEK293 cells assessed as induction of intracellular calcium level


Bioorg Med Chem Lett 26: 899-902 (2016)


Article DOI: 10.1016/j.bmcl.2015.12.065
BindingDB Entry DOI: 10.7270/Q2765H6N
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Rattus norvegicus)
BDBM23928
PNG
(1,3-dimethoxy-5-[(E)-2-(4-methoxyphenyl)ethenyl]be...)
Show SMILES COc1ccc(\C=C\c2cc(OC)cc(OC)c2)cc1
Show InChI InChI=1S/C17H18O3/c1-18-15-8-6-13(7-9-15)4-5-14-10-16(19-2)12-17(11-14)20-3/h4-12H,1-3H3/b5-4+
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n/an/a 3.00E+3n/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Antagonist activity at rat TRPA1 expressed in HEK293 cells assessed as inhibition of allyl isothiocyanate-induced increase of intracellular calcium l...


Bioorg Med Chem Lett 26: 899-902 (2016)


Article DOI: 10.1016/j.bmcl.2015.12.065
BindingDB Entry DOI: 10.7270/Q2765H6N
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (human))
BDBM23928
PNG
(1,3-dimethoxy-5-[(E)-2-(4-methoxyphenyl)ethenyl]be...)
Show SMILES COc1ccc(\C=C\c2cc(OC)cc(OC)c2)cc1
Show InChI InChI=1S/C17H18O3/c1-18-15-8-6-13(7-9-15)4-5-14-10-16(19-2)12-17(11-14)20-3/h4-12H,1-3H3/b5-4+
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n/an/a 1.67E+3n/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


Assay Description
Inhibition of human recombinant COX-2 using arachidonic acid as substrate assessed as PGE2 production preincubated for 10 mins followed by substrate ...


Bioorg Med Chem Lett 26: 1411-5 (2016)


Article DOI: 10.1016/j.bmcl.2016.01.069
BindingDB Entry DOI: 10.7270/Q2X92D52
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM23928
PNG
(1,3-dimethoxy-5-[(E)-2-(4-methoxyphenyl)ethenyl]be...)
Show SMILES COc1ccc(\C=C\c2cc(OC)cc(OC)c2)cc1
Show InChI InChI=1S/C17H18O3/c1-18-15-8-6-13(7-9-15)4-5-14-10-16(19-2)12-17(11-14)20-3/h4-12H,1-3H3/b5-4+
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n/an/a 1.23E+3n/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


Assay Description
Inhibition of ovine COX-1 using arachidonic acid as substrate assessed as PGE2 production preincubated for 10 mins followed by substrate addition inc...


Bioorg Med Chem Lett 26: 1411-5 (2016)


Article DOI: 10.1016/j.bmcl.2016.01.069
BindingDB Entry DOI: 10.7270/Q2X92D52
More data for this
Ligand-Target Pair
P-glycoprotein 1


(Homo sapiens (Human))
BDBM23928
PNG
(1,3-dimethoxy-5-[(E)-2-(4-methoxyphenyl)ethenyl]be...)
Show SMILES COc1ccc(\C=C\c2cc(OC)cc(OC)c2)cc1
Show InChI InChI=1S/C17H18O3/c1-18-15-8-6-13(7-9-15)4-5-14-10-16(19-2)12-17(11-14)20-3/h4-12H,1-3H3/b5-4+
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n/an/a 8.00E+3n/an/an/an/an/an/a



Universit£ di Bologna

Curated by ChEMBL


Assay Description
Antiproliferative activity against MDR human HL60R cell line


J Med Chem 49: 3012-8 (2006)


Article DOI: 10.1021/jm060253o
BindingDB Entry DOI: 10.7270/Q2R49RKZ
More data for this
Ligand-Target Pair
Breakpoint cluster region protein /Tyrosine-protein kinase ABL


(Homo sapiens (Human))
BDBM23928
PNG
(1,3-dimethoxy-5-[(E)-2-(4-methoxyphenyl)ethenyl]be...)
Show SMILES COc1ccc(\C=C\c2cc(OC)cc(OC)c2)cc1
Show InChI InChI=1S/C17H18O3/c1-18-15-8-6-13(7-9-15)4-5-14-10-16(19-2)12-17(11-14)20-3/h4-12H,1-3H3/b5-4+
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n/an/a 1.00E+4n/an/an/an/an/an/a



Universit£ di Bologna

Curated by ChEMBL


Assay Description
Antiproliferative activity against human K562 cell line expressing Bcr-Abl


J Med Chem 49: 3012-8 (2006)


Article DOI: 10.1021/jm060253o
BindingDB Entry DOI: 10.7270/Q2R49RKZ
More data for this
Ligand-Target Pair
Cytochrome P450 1A


(Homo sapiens (human))
BDBM23928
PNG
(1,3-dimethoxy-5-[(E)-2-(4-methoxyphenyl)ethenyl]be...)
Show SMILES COc1ccc(\C=C\c2cc(OC)cc(OC)c2)cc1
Show InChI InChI=1S/C17H18O3/c1-18-15-8-6-13(7-9-15)4-5-14-10-16(19-2)12-17(11-14)20-3/h4-12H,1-3H3/b5-4+
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n/an/a 6.20E+3n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Inhibition of ethoxyresorufin O-deethylation (EROD) in bicistronic bacterial membranes expressing human cytochrome P450 1A2


J Med Chem 45: 160-4 (2001)


Article DOI: 10.1021/jm010298j
BindingDB Entry DOI: 10.7270/Q2668CGD
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (human))
BDBM23928
PNG
(1,3-dimethoxy-5-[(E)-2-(4-methoxyphenyl)ethenyl]be...)
Show SMILES COc1ccc(\C=C\c2cc(OC)cc(OC)c2)cc1
Show InChI InChI=1S/C17H18O3/c1-18-15-8-6-13(7-9-15)4-5-14-10-16(19-2)12-17(11-14)20-3/h4-12H,1-3H3/b5-4+
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n/an/an/an/a 1.56E+6n/an/an/an/a



University of Houston

Curated by ChEMBL


Assay Description
Binding affinity to recombinant C1 domain of PKCalpha expressed in Escherichia coli BL21 (DE3) after 45 mins by fluorescence quenching assay


Bioorg Med Chem 19: 5321-33 (2011)


Article DOI: 10.1016/j.bmc.2011.08.008
BindingDB Entry DOI: 10.7270/Q25H7GN9
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM23928
PNG
(1,3-dimethoxy-5-[(E)-2-(4-methoxyphenyl)ethenyl]be...)
Show SMILES COc1ccc(\C=C\c2cc(OC)cc(OC)c2)cc1
Show InChI InChI=1S/C17H18O3/c1-18-15-8-6-13(7-9-15)4-5-14-10-16(19-2)12-17(11-14)20-3/h4-12H,1-3H3/b5-4+
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n/an/a>1.00E+4n/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1 expressed in HEK293 cells assessed as inhibition of capsaicin-induced increase of intracellular calcium level


Bioorg Med Chem Lett 26: 899-902 (2016)


Article DOI: 10.1016/j.bmcl.2015.12.065
BindingDB Entry DOI: 10.7270/Q2765H6N
More data for this
Ligand-Target Pair