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BDBM50080016 (E)-1-(4-Benzyl-piperidin-1-yl)-3-(4-hydroxy-phenyl)-propenone::(E)-1-(4-benzylpiperidin-1-yl)-3-(4-hydroxy-phenyl)-propenone::1-(4-benzylpiperidin-1-yl)-3-(4-hydroxyphenyl)prop-2-en-1-one::CHEMBL113919

SMILES: Oc1ccc(\C=C\C(=O)N2CCC(Cc3ccccc3)CC2)cc1

InChI Key: InChIKey=FYGULVAWGIBPEL-DHZHZOJOSA-N

Data: 8 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 8 hits for monomerid = 50080016   
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
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50080016
PNG
((E)-1-(4-Benzyl-piperidin-1-yl)-3-(4-hydroxy-pheny...)
Show SMILES Oc1ccc(\C=C\C(=O)N2CCC(Cc3ccccc3)CC2)cc1
Show InChI InChI=1S/C21H23NO2/c23-20-9-6-17(7-10-20)8-11-21(24)22-14-12-19(13-15-22)16-18-4-2-1-3-5-18/h1-11,19,23H,12-16H2/b11-8+
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Oregon

Curated by ChEMBL


Assay Description
Inhibition of Alpha-1 adrenergic receptor


J Med Chem 42: 3412-20 (1999)


Article DOI: 10.1021/jm990199u
BindingDB Entry DOI: 10.7270/Q2RR1XFD
More data for this
Ligand-Target Pair
Glutamate [NMDA] receptor subunit epsilon 2/zeta 1


(Rattus norvegicus (Rat)-RAT)
BDBM50080016
PNG
((E)-1-(4-Benzyl-piperidin-1-yl)-3-(4-hydroxy-pheny...)
Show SMILES Oc1ccc(\C=C\C(=O)N2CCC(Cc3ccccc3)CC2)cc1
Show InChI InChI=1S/C21H23NO2/c23-20-9-6-17(7-10-20)8-11-21(24)22-14-12-19(13-15-22)16-18-4-2-1-3-5-18/h1-11,19,23H,12-16H2/b11-8+
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n/an/a 120n/an/an/an/an/an/a



University of Oregon

Curated by ChEMBL


Assay Description
Antagonistic activity against N-methyl-D-aspartate glutamate receptor 1/2B.


J Med Chem 42: 3412-20 (1999)


Article DOI: 10.1021/jm990199u
BindingDB Entry DOI: 10.7270/Q2RR1XFD
More data for this
Ligand-Target Pair
Glutamate [NMDA] receptor subunit epsilon 3/zeta 1


(RAT-Rattus norvegicus (Rat))
BDBM50080016
PNG
((E)-1-(4-Benzyl-piperidin-1-yl)-3-(4-hydroxy-pheny...)
Show SMILES Oc1ccc(\C=C\C(=O)N2CCC(Cc3ccccc3)CC2)cc1
Show InChI InChI=1S/C21H23NO2/c23-20-9-6-17(7-10-20)8-11-21(24)22-14-12-19(13-15-22)16-18-4-2-1-3-5-18/h1-11,19,23H,12-16H2/b11-8+
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Oregon

Curated by ChEMBL


Assay Description
Antagonistic activity against N-methyl-D-aspartate glutamate receptor 1/2C.


J Med Chem 42: 3412-20 (1999)


Article DOI: 10.1021/jm990199u
BindingDB Entry DOI: 10.7270/Q2RR1XFD
More data for this
Ligand-Target Pair
GluN1/GluN2B NMDA receptor


(Homo sapiens (Human))
BDBM50080016
PNG
((E)-1-(4-Benzyl-piperidin-1-yl)-3-(4-hydroxy-pheny...)
Show SMILES Oc1ccc(\C=C\C(=O)N2CCC(Cc3ccccc3)CC2)cc1
Show InChI InChI=1S/C21H23NO2/c23-20-9-6-17(7-10-20)8-11-21(24)22-14-12-19(13-15-22)16-18-4-2-1-3-5-18/h1-11,19,23H,12-16H2/b11-8+
PDB
MMDB

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n/an/a 104n/an/an/an/an/an/a



Gedeon Richter Ltd.

Curated by ChEMBL


Assay Description
Inhibition of N-methyl-D-aspartate glutamate receptor-evoked increase of intracellular Ca+ in cells expressing NMDA glutamate receptor 1/2B


Bioorg Med Chem Lett 13: 3859-61 (2003)


BindingDB Entry DOI: 10.7270/Q2TH8M32
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B


(Rattus norvegicus (Rat))
BDBM50080016
PNG
((E)-1-(4-Benzyl-piperidin-1-yl)-3-(4-hydroxy-pheny...)
Show SMILES Oc1ccc(\C=C\C(=O)N2CCC(Cc3ccccc3)CC2)cc1
Show InChI InChI=1S/C21H23NO2/c23-20-9-6-17(7-10-20)8-11-21(24)22-14-12-19(13-15-22)16-18-4-2-1-3-5-18/h1-11,19,23H,12-16H2/b11-8+
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PC sid
UniChem

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Article
PubMed
n/an/a 196n/an/an/an/an/an/a



Gedeon Richter Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]Ro25-6981 from NR2B NMDA receptor in rat forebrain membrane


Bioorg Med Chem Lett 16: 4638-40 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.002
BindingDB Entry DOI: 10.7270/Q2V69J7M
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B


(Rattus norvegicus (Rat))
BDBM50080016
PNG
((E)-1-(4-Benzyl-piperidin-1-yl)-3-(4-hydroxy-pheny...)
Show SMILES Oc1ccc(\C=C\C(=O)N2CCC(Cc3ccccc3)CC2)cc1
Show InChI InChI=1S/C21H23NO2/c23-20-9-6-17(7-10-20)8-11-21(24)22-14-12-19(13-15-22)16-18-4-2-1-3-5-18/h1-11,19,23H,12-16H2/b11-8+
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UniChem

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Article
PubMed
n/an/a 131n/an/an/an/an/an/a



Gedeon Richter Ltd.

Curated by ChEMBL


Assay Description
Antagonist activity at NR2B NMDA receptor in Wistar rat neocortical cells assessed as inhibition of NMDA-evoked elevation of intracellular calcium co...


J Med Chem 50: 901-14 (2007)


Article DOI: 10.1021/jm060420k
BindingDB Entry DOI: 10.7270/Q2DV1JJ4
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B


(Rattus norvegicus (Rat))
BDBM50080016
PNG
((E)-1-(4-Benzyl-piperidin-1-yl)-3-(4-hydroxy-pheny...)
Show SMILES Oc1ccc(\C=C\C(=O)N2CCC(Cc3ccccc3)CC2)cc1
Show InChI InChI=1S/C21H23NO2/c23-20-9-6-17(7-10-20)8-11-21(24)22-14-12-19(13-15-22)16-18-4-2-1-3-5-18/h1-11,19,23H,12-16H2/b11-8+
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 196n/an/an/an/an/an/a



Gedeon Richter Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]Ro 25,6981 from NR2B NMDA receptor in rat forebrain


J Med Chem 50: 901-14 (2007)


Article DOI: 10.1021/jm060420k
BindingDB Entry DOI: 10.7270/Q2DV1JJ4
More data for this
Ligand-Target Pair
Glutamate [NMDA] receptor subunit epsilon 1/zeta 1


(Rattus norvegicus (Rat)-RAT)
BDBM50080016
PNG
((E)-1-(4-Benzyl-piperidin-1-yl)-3-(4-hydroxy-pheny...)
Show SMILES Oc1ccc(\C=C\C(=O)N2CCC(Cc3ccccc3)CC2)cc1
Show InChI InChI=1S/C21H23NO2/c23-20-9-6-17(7-10-20)8-11-21(24)22-14-12-19(13-15-22)16-18-4-2-1-3-5-18/h1-11,19,23H,12-16H2/b11-8+
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



University of Oregon

Curated by ChEMBL


Assay Description
Antagonistic activity against N-methyl-D-aspartate glutamate receptor 1/2A.


J Med Chem 42: 3412-20 (1999)


Article DOI: 10.1021/jm990199u
BindingDB Entry DOI: 10.7270/Q2RR1XFD
More data for this
Ligand-Target Pair