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BDBM232198 (E)-N-Methyl-3-(3,4,5-trimethoxyphenyl) acrylamide (1a)

SMILES: CNC(=O)\C=C\c1cc(OC)c(OC)c(OC)c1

InChI Key: InChIKey=IWUMZEUJTOEUIF-AATRIKPKSA-N

Data: 5 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 5 hits for monomerid = 232198   
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
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM232198
PNG
((E)-N-Methyl-3-(3,4,5-trimethoxyphenyl) acrylamide...)
Show SMILES CNC(=O)\C=C\c1cc(OC)c(OC)c(OC)c1
Show InChI InChI=1S/C13H17NO4/c1-14-12(15)6-5-9-7-10(16-2)13(18-4)11(8-9)17-3/h5-8H,1-4H3,(H,14,15)/b6-5+
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UniChem
Article
PubMed
n/an/a 5.60E+3n/an/an/an/a7.427



Ewha Womans University



Assay Description
For the binding assay, aliquots of receptor membranes, 0.25 nM [3H]8-OH-DPAT (8-hydroxy-2-(di-N-propylamino)tetralin, 154.3 Ci/mM; New England Nuclea...


J Enzyme Inhib Med Chem 25: 38-43 (2010)


Article DOI: 10.3109/14756360902932784
BindingDB Entry DOI: 10.7270/Q2F76BDV
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM232198
PNG
((E)-N-Methyl-3-(3,4,5-trimethoxyphenyl) acrylamide...)
Show SMILES CNC(=O)\C=C\c1cc(OC)c(OC)c(OC)c1
Show InChI InChI=1S/C13H17NO4/c1-14-12(15)6-5-9-7-10(16-2)13(18-4)11(8-9)17-3/h5-8H,1-4H3,(H,14,15)/b6-5+
PDB
MMDB

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antibodypedia
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+4n/an/an/an/a7.4n/a



Ewha Womans University



Assay Description
For serotonin 5-HT2A binding, an aliquot of frozen membrane from a CHO-K1 cell line expressing the human recombinant 5-HT2A receptor (PerkinElmer) an...


J Enzyme Inhib Med Chem 25: 38-43 (2010)


Article DOI: 10.3109/14756360902932784
BindingDB Entry DOI: 10.7270/Q2F76BDV
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM232198
PNG
((E)-N-Methyl-3-(3,4,5-trimethoxyphenyl) acrylamide...)
Show SMILES CNC(=O)\C=C\c1cc(OC)c(OC)c(OC)c1
Show InChI InChI=1S/C13H17NO4/c1-14-12(15)6-5-9-7-10(16-2)13(18-4)11(8-9)17-3/h5-8H,1-4H3,(H,14,15)/b6-5+
Reactome pathway
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antibodypedia
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+4n/an/an/an/a7.427



Ewha Womans University



Assay Description
For receptor binding assays, human 5-HT6 and 5-HT7 serotonin receptors expressed in CHO-K1 cells (PerkinElmer) were used. For 5-HT6 receptor binding,...


J Enzyme Inhib Med Chem 25: 38-43 (2010)


Article DOI: 10.3109/14756360902932784
BindingDB Entry DOI: 10.7270/Q2F76BDV
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM232198
PNG
((E)-N-Methyl-3-(3,4,5-trimethoxyphenyl) acrylamide...)
Show SMILES CNC(=O)\C=C\c1cc(OC)c(OC)c(OC)c1
Show InChI InChI=1S/C13H17NO4/c1-14-12(15)6-5-9-7-10(16-2)13(18-4)11(8-9)17-3/h5-8H,1-4H3,(H,14,15)/b6-5+
Reactome pathway
KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+4n/an/an/an/a7.427



Ewha Womans University



Assay Description
For receptor binding assays, human 5-HT6 and 5-HT7 serotonin receptors expressed in CHO-K1 cells (PerkinElmer) were used. For 5-HT6 receptor binding,...


J Enzyme Inhib Med Chem 25: 38-43 (2010)


Article DOI: 10.3109/14756360902932784
BindingDB Entry DOI: 10.7270/Q2F76BDV
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM232198
PNG
((E)-N-Methyl-3-(3,4,5-trimethoxyphenyl) acrylamide...)
Show SMILES CNC(=O)\C=C\c1cc(OC)c(OC)c(OC)c1
Show InChI InChI=1S/C13H17NO4/c1-14-12(15)6-5-9-7-10(16-2)13(18-4)11(8-9)17-3/h5-8H,1-4H3,(H,14,15)/b6-5+
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+4n/an/an/an/a7.4n/a



Ewha Womans University



Assay Description
Frozen membranes from a stable CHO-K1 cell line expressing the human recombinant 5-HT2C receptor (PerkinElmer) were used. For the binding assay, [3H]...


J Enzyme Inhib Med Chem 25: 38-43 (2010)


Article DOI: 10.3109/14756360902932784
BindingDB Entry DOI: 10.7270/Q2F76BDV
More data for this
Ligand-Target Pair