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BDBM23940 1,3-dimethoxy-5-[(Z)-2-(4-methoxyphenyl)ethenyl]benzene::CHEMBL311636::cis-Stilbene Derivative, 5a

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

InChI Key: InChIKey=GDHNBPHYVRHYCC-PLNGDYQASA-N

Data: 5 KI  1 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 6 hits for monomerid = 23940   
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


(Homo sapiens (Human))
BDBM23940
PNG
(1,3-dimethoxy-5-[(Z)-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-
PDB

KEGG

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Article
12n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to aryl hydrocarbon receptor (unknown origin)


Citation and Details

Article DOI: 10.1007/s00044-009-9236-2
BindingDB Entry DOI: 10.7270/Q23X89HB
More data for this
Ligand-Target Pair
Aryl Hydrocarbon Receptor (AhR)


(Oryctolagus cuniculus (rabbit))
BDBM23940
PNG
(1,3-dimethoxy-5-[(Z)-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-
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
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CHEMBL
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Article
PubMed
75 -9.03n/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))
BDBM23940
PNG
(1,3-dimethoxy-5-[(Z)-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-
PDB

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antibodypedia
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Article
PubMed
132n/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
Aryl hydrocarbon receptor


(Homo sapiens (Human))
BDBM23940
PNG
(1,3-dimethoxy-5-[(Z)-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-
PDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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antibodypedia
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CHEMBL
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Article
1.33E+7n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to aryl hydrocarbon receptor (unknown origin)


Citation and Details

Article DOI: 10.1007/s00044-007-9055-2
BindingDB Entry DOI: 10.7270/Q2M32ZPJ
More data for this
Ligand-Target Pair
Aryl hydrocarbon receptor


(Homo sapiens (Human))
BDBM23940
PNG
(1,3-dimethoxy-5-[(Z)-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-
PDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
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CHEMBL
PC cid
PC sid
UniChem

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Article
7.94E+7n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to aryl hydrocarbon receptor (unknown origin)


Citation and Details

Article DOI: 10.1007/s00044-009-9236-2
BindingDB Entry DOI: 10.7270/Q23X89HB
More data for this
Ligand-Target Pair
Similar to alpha-tubulin isoform 1


(Bos taurus)
BDBM23940
PNG
(1,3-dimethoxy-5-[(Z)-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-
UniProtKB/TrEMBL

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Article
PubMed
n/an/a 1.80E+3n/an/an/an/an/an/a



Arizona State University

Curated by ChEMBL


Assay Description
Inhibition of tubulin polymerization reported as IC50


J Med Chem 45: 2534-42 (2002)


Article DOI: 10.1021/jm010119y
BindingDB Entry DOI: 10.7270/Q20P12RK
More data for this
Ligand-Target Pair