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BDBM50033847 CHEMBL108241::{2-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-ethyl}-(5-methoxy-1,2,3,4-tetrahydro-naphthalen-1-yl)-amine

SMILES: COc1cccc2C(CCCc12)NCCN1CCN(CC1)c1ccccc1OC

InChI Key: InChIKey=FVDGLILSFMGSJG-UHFFFAOYNA-N

Data: 7 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 7 hits for monomerid = 50033847   
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))
BDBM50033847
PNG
(CHEMBL108241 | {2-[4-(2-Methoxy-phenyl)-piperazin-...)
Show SMILES COc1cccc2C(CCCc12)NCCN1CCN(CC1)c1ccccc1OC
Show InChI InChI=1/C24H33N3O2/c1-28-23-12-6-7-19-20(23)8-5-9-21(19)25-13-14-26-15-17-27(18-16-26)22-10-3-4-11-24(22)29-2/h3-4,6-7,10-12,21,25H,5,8-9,13-18H2,1-2H3
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


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Article
PubMed
n/an/a 151n/an/an/an/an/an/a



Università di Bari

Curated by ChEMBL


Assay Description
In vitro binding affinity measured on sigma opioid receptor using [3H]-DTG as radioligand


J Med Chem 38: 942-9 (1995)


Article DOI: 10.1021/jm00006a013
BindingDB Entry DOI: 10.7270/Q2SQ8ZD0
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50033847
PNG
(CHEMBL108241 | {2-[4-(2-Methoxy-phenyl)-piperazin-...)
Show SMILES COc1cccc2C(CCCc12)NCCN1CCN(CC1)c1ccccc1OC
Show InChI InChI=1/C24H33N3O2/c1-28-23-12-6-7-19-20(23)8-5-9-21(19)25-13-14-26-15-17-27(18-16-26)22-10-3-4-11-24(22)29-2/h3-4,6-7,10-12,21,25H,5,8-9,13-18H2,1-2H3
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Article
PubMed
n/an/a 618n/an/an/an/an/an/a



Università di Bari

Curated by ChEMBL


Assay Description
In vitro binding affinity measured on dopamine receptor D2 using [3H]-spiroperidol as radioligand.


J Med Chem 38: 942-9 (1995)


Article DOI: 10.1021/jm00006a013
BindingDB Entry DOI: 10.7270/Q2SQ8ZD0
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50033847
PNG
(CHEMBL108241 | {2-[4-(2-Methoxy-phenyl)-piperazin-...)
Show SMILES COc1cccc2C(CCCc12)NCCN1CCN(CC1)c1ccccc1OC
Show InChI InChI=1/C24H33N3O2/c1-28-23-12-6-7-19-20(23)8-5-9-21(19)25-13-14-26-15-17-27(18-16-26)22-10-3-4-11-24(22)29-2/h3-4,6-7,10-12,21,25H,5,8-9,13-18H2,1-2H3
KEGG

GoogleScholar
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PC sid
UniChem

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Article
PubMed
n/an/a 7.01n/an/an/an/an/an/a



Università di Bari

Curated by ChEMBL


Assay Description
In vitro binding affinity measured on serotonin 5-hydroxytryptamine 1A receptor using [3H]-8-OH-DPAT as radioligand.


J Med Chem 38: 942-9 (1995)


Article DOI: 10.1021/jm00006a013
BindingDB Entry DOI: 10.7270/Q2SQ8ZD0
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50033847
PNG
(CHEMBL108241 | {2-[4-(2-Methoxy-phenyl)-piperazin-...)
Show SMILES COc1cccc2C(CCCc12)NCCN1CCN(CC1)c1ccccc1OC
Show InChI InChI=1/C24H33N3O2/c1-28-23-12-6-7-19-20(23)8-5-9-21(19)25-13-14-26-15-17-27(18-16-26)22-10-3-4-11-24(22)29-2/h3-4,6-7,10-12,21,25H,5,8-9,13-18H2,1-2H3
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PubMed
n/an/a 380n/an/an/an/an/an/a



Universit£ di Bari

Curated by ChEMBL


Assay Description
Compound was evaluated for their affinity against Dopamine receptor D2 by displacing [3H]spiperone in rat striatal membrane


J Med Chem 39: 3195-202 (1996)


Article DOI: 10.1021/jm960087s
BindingDB Entry DOI: 10.7270/Q2GM87ZN
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50033847
PNG
(CHEMBL108241 | {2-[4-(2-Methoxy-phenyl)-piperazin-...)
Show SMILES COc1cccc2C(CCCc12)NCCN1CCN(CC1)c1ccccc1OC
Show InChI InChI=1/C24H33N3O2/c1-28-23-12-6-7-19-20(23)8-5-9-21(19)25-13-14-26-15-17-27(18-16-26)22-10-3-4-11-24(22)29-2/h3-4,6-7,10-12,21,25H,5,8-9,13-18H2,1-2H3
KEGG

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 7.70n/an/an/an/an/an/a



Università di Bari

Curated by ChEMBL


Assay Description
In vitro inhibition of [3H]-8-OH-DPAT binding to rat 5-HT 1a receptors.


J Med Chem 42: 490-6 (1999)


Article DOI: 10.1021/jm980420n
BindingDB Entry DOI: 10.7270/Q29W0DP9
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50033847
PNG
(CHEMBL108241 | {2-[4-(2-Methoxy-phenyl)-piperazin-...)
Show SMILES COc1cccc2C(CCCc12)NCCN1CCN(CC1)c1ccccc1OC
Show InChI InChI=1/C24H33N3O2/c1-28-23-12-6-7-19-20(23)8-5-9-21(19)25-13-14-26-15-17-27(18-16-26)22-10-3-4-11-24(22)29-2/h3-4,6-7,10-12,21,25H,5,8-9,13-18H2,1-2H3
KEGG

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 7.70n/an/an/an/an/an/a



Universit£ di Bari

Curated by ChEMBL


Assay Description
Binding affinity against 5-hydroxytryptamine 1A receptor in rat hippocampus membranes using [3H]8-OH-DPAT as radioligand


J Med Chem 39: 3195-202 (1996)


Article DOI: 10.1021/jm960087s
BindingDB Entry DOI: 10.7270/Q2GM87ZN
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50033847
PNG
(CHEMBL108241 | {2-[4-(2-Methoxy-phenyl)-piperazin-...)
Show SMILES COc1cccc2C(CCCc12)NCCN1CCN(CC1)c1ccccc1OC
Show InChI InChI=1/C24H33N3O2/c1-28-23-12-6-7-19-20(23)8-5-9-21(19)25-13-14-26-15-17-27(18-16-26)22-10-3-4-11-24(22)29-2/h3-4,6-7,10-12,21,25H,5,8-9,13-18H2,1-2H3
Reactome pathway
KEGG

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 380n/an/an/an/an/an/a



Università di Bari

Curated by ChEMBL


Assay Description
In vitro inhibition of [3H]-spiroperidol binding to rat Dopamine D2 receptors.


J Med Chem 42: 490-6 (1999)


Article DOI: 10.1021/jm980420n
BindingDB Entry DOI: 10.7270/Q29W0DP9
More data for this
Ligand-Target Pair