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BDBM50081369 CHEMBL128860::CHEMBL541091::[1-(4-Methoxy-3-phenethyloxy-benzyl)-pentyl]-propyl-amine

SMILES: CCCCC(Cc1ccc(OC)c(OCCc2ccccc2)c1)NCCC

InChI Key: InChIKey=LHWOHGLWUXQYSV-UHFFFAOYSA-N

Data: 6 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 = 50081369   
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
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50081369
PNG
(CHEMBL128860 | CHEMBL541091 | [1-(4-Methoxy-3-phen...)
Show SMILES CCCCC(Cc1ccc(OC)c(OCCc2ccccc2)c1)NCCC
Show InChI InChI=1S/C24H35NO2/c1-4-6-12-22(25-16-5-2)18-21-13-14-23(26-3)24(19-21)27-17-15-20-10-8-7-9-11-20/h7-11,13-14,19,22,25H,4-6,12,15-18H2,1-3H3
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n/an/a 320n/an/an/an/an/an/a



Taisho Pharmaceutical Company Ltd.

Curated by ChEMBL


Assay Description
TIn vitro binding affinity at Sigma opioid receptor type 2 on guinea pig brain membranes by [3H]DTG displacement in the presence of [3H]pentazocine.


J Med Chem 42: 3965-70 (1999)


BindingDB Entry DOI: 10.7270/Q2PR7WQ7
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50081369
PNG
(CHEMBL128860 | CHEMBL541091 | [1-(4-Methoxy-3-phen...)
Show SMILES CCCCC(Cc1ccc(OC)c(OCCc2ccccc2)c1)NCCC
Show InChI InChI=1S/C24H35NO2/c1-4-6-12-22(25-16-5-2)18-21-13-14-23(26-3)24(19-21)27-17-15-20-10-8-7-9-11-20/h7-11,13-14,19,22,25H,4-6,12,15-18H2,1-3H3
PDB

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PubMed
n/an/a 210n/an/an/an/an/an/a



Taisho Pharmaceutical Company Ltd.

Curated by ChEMBL


Assay Description
In vitro binding affinity at Sigma opioid receptor type 2 on guinea pig brain membranes by [3H]DTG displacement in the presence of [3H]pentazocine.


J Med Chem 42: 3965-70 (1999)


BindingDB Entry DOI: 10.7270/Q2PR7WQ7
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50081369
PNG
(CHEMBL128860 | CHEMBL541091 | [1-(4-Methoxy-3-phen...)
Show SMILES CCCCC(Cc1ccc(OC)c(OCCc2ccccc2)c1)NCCC
Show InChI InChI=1S/C24H35NO2/c1-4-6-12-22(25-16-5-2)18-21-13-14-23(26-3)24(19-21)27-17-15-20-10-8-7-9-11-20/h7-11,13-14,19,22,25H,4-6,12,15-18H2,1-3H3
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n/an/a>1.00E+3n/an/an/an/an/an/a



Taisho Pharmaceutical Company Ltd.

Curated by ChEMBL


Assay Description
In vitro binding affinity at Dopamine receptor D2 of rat striatal membranes by [3H]-raclopride displacement.


J Med Chem 42: 3965-70 (1999)


BindingDB Entry DOI: 10.7270/Q2PR7WQ7
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50081369
PNG
(CHEMBL128860 | CHEMBL541091 | [1-(4-Methoxy-3-phen...)
Show SMILES CCCCC(Cc1ccc(OC)c(OCCc2ccccc2)c1)NCCC
Show InChI InChI=1S/C24H35NO2/c1-4-6-12-22(25-16-5-2)18-21-13-14-23(26-3)24(19-21)27-17-15-20-10-8-7-9-11-20/h7-11,13-14,19,22,25H,4-6,12,15-18H2,1-3H3
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n/an/a>1.00E+3n/an/an/an/an/an/a



Taisho Pharmaceutical Company Ltd.

Curated by ChEMBL


Assay Description
In vitro binding affinity at Dopamine receptor D2 of rat striatal membranes by [3H]-raclopride displacement.


J Med Chem 42: 3965-70 (1999)


BindingDB Entry DOI: 10.7270/Q2PR7WQ7
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50081369
PNG
(CHEMBL128860 | CHEMBL541091 | [1-(4-Methoxy-3-phen...)
Show SMILES CCCCC(Cc1ccc(OC)c(OCCc2ccccc2)c1)NCCC
Show InChI InChI=1S/C24H35NO2/c1-4-6-12-22(25-16-5-2)18-21-13-14-23(26-3)24(19-21)27-17-15-20-10-8-7-9-11-20/h7-11,13-14,19,22,25H,4-6,12,15-18H2,1-3H3
PDB

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PubMed
n/an/a 2.10n/an/an/an/an/an/a



Taisho Pharmaceutical Company Ltd.

Curated by ChEMBL


Assay Description
In vitro binding affinity at Sigma opioid receptors on guinea pig brain membranes by [3H]3-PPP displacement.


J Med Chem 42: 3965-70 (1999)


BindingDB Entry DOI: 10.7270/Q2PR7WQ7
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50081369
PNG
(CHEMBL128860 | CHEMBL541091 | [1-(4-Methoxy-3-phen...)
Show SMILES CCCCC(Cc1ccc(OC)c(OCCc2ccccc2)c1)NCCC
Show InChI InChI=1S/C24H35NO2/c1-4-6-12-22(25-16-5-2)18-21-13-14-23(26-3)24(19-21)27-17-15-20-10-8-7-9-11-20/h7-11,13-14,19,22,25H,4-6,12,15-18H2,1-3H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

PubMed
n/an/a 230n/an/an/an/an/an/a



Taisho Pharmaceutical Company Ltd.

Curated by ChEMBL


Assay Description
TIn vitro binding affinity at Sigma opioid receptor type 2 on guinea pig brain membranes by [3H]DTG displacement in the presence of [3H]pentazocine.


J Med Chem 42: 3965-70 (1999)


BindingDB Entry DOI: 10.7270/Q2PR7WQ7
More data for this
Ligand-Target Pair