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SMILES: COc1cccc2C(CCCN3CCN(CC3)c3ccccc3)=CCCc12

InChI Key: InChIKey=XOBUAHLUTFRWNA-UHFFFAOYSA-N

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50033850   
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


(Rattus norvegicus (rat))
BDBM50033850
PNG
(1-[3-(5-Methoxy-3,4-dihydro-naphthalen-1-yl)-propy...)
Show SMILES COc1cccc2C(CCCN3CCN(CC3)c3ccccc3)=CCCc12 |c:24|
Show InChI InChI=1S/C24H30N2O/c1-27-24-14-6-12-22-20(8-5-13-23(22)24)9-7-15-25-16-18-26(19-17-25)21-10-3-2-4-11-21/h2-4,6,8,10-12,14H,5,7,9,13,15-19H2,1H3
PDB

KEGG

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

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PubMed
n/an/a 18.3n/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)


BindingDB Entry DOI: 10.7270/Q2SQ8ZD0
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50033850
PNG
(1-[3-(5-Methoxy-3,4-dihydro-naphthalen-1-yl)-propy...)
Show SMILES COc1cccc2C(CCCN3CCN(CC3)c3ccccc3)=CCCc12 |c:24|
Show InChI InChI=1S/C24H30N2O/c1-27-24-14-6-12-22-20(8-5-13-23(22)24)9-7-15-25-16-18-26(19-17-25)21-10-3-2-4-11-21/h2-4,6,8,10-12,14H,5,7,9,13,15-19H2,1H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem

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PubMed
n/an/a 54.4n/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)


BindingDB Entry DOI: 10.7270/Q2SQ8ZD0
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50033850
PNG
(1-[3-(5-Methoxy-3,4-dihydro-naphthalen-1-yl)-propy...)
Show SMILES COc1cccc2C(CCCN3CCN(CC3)c3ccccc3)=CCCc12 |c:24|
Show InChI InChI=1S/C24H30N2O/c1-27-24-14-6-12-22-20(8-5-13-23(22)24)9-7-15-25-16-18-26(19-17-25)21-10-3-2-4-11-21/h2-4,6,8,10-12,14H,5,7,9,13,15-19H2,1H3
PDB

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PC sid
UniChem

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Article
PubMed
n/an/a 18n/an/an/an/an/an/a



Universit£ di Bari

Curated by ChEMBL


Assay Description
Binding affinity towards rat 5-hydroxytryptamine 1A receptor was evaluated using [3H]8-OH-DPAT as radioligand


J Med Chem 39: 4928-34 (1997)


Article DOI: 10.1021/jm9604538
BindingDB Entry DOI: 10.7270/Q2ZG6SX1
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50033850
PNG
(1-[3-(5-Methoxy-3,4-dihydro-naphthalen-1-yl)-propy...)
Show SMILES COc1cccc2C(CCCN3CCN(CC3)c3ccccc3)=CCCc12 |c:24|
Show InChI InChI=1S/C24H30N2O/c1-27-24-14-6-12-22-20(8-5-13-23(22)24)9-7-15-25-16-18-26(19-17-25)21-10-3-2-4-11-21/h2-4,6,8,10-12,14H,5,7,9,13,15-19H2,1H3
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PubMed
n/an/a 303n/an/an/an/an/an/a



Universit£ di Bari

Curated by ChEMBL


Assay Description
Binding affinity towards rat Dopamine receptor D2 was evaluated using [3H]- spiroperidol as radioligand


J Med Chem 39: 4928-34 (1997)


Article DOI: 10.1021/jm9604538
BindingDB Entry DOI: 10.7270/Q2ZG6SX1
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))
BDBM50033850
PNG
(1-[3-(5-Methoxy-3,4-dihydro-naphthalen-1-yl)-propy...)
Show SMILES COc1cccc2C(CCCN3CCN(CC3)c3ccccc3)=CCCc12 |c:24|
Show InChI InChI=1S/C24H30N2O/c1-27-24-14-6-12-22-20(8-5-13-23(22)24)9-7-15-25-16-18-26(19-17-25)21-10-3-2-4-11-21/h2-4,6,8,10-12,14H,5,7,9,13,15-19H2,1H3
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Article
PubMed
n/an/a 204n/an/an/an/an/an/a



Universit£ di Bari

Curated by ChEMBL


Assay Description
Binding affinity towards rat 5-hydroxytryptamine 2A receptor was evaluated using [3H]- ketanserin as radioligand


J Med Chem 39: 4928-34 (1997)


Article DOI: 10.1021/jm9604538
BindingDB Entry DOI: 10.7270/Q2ZG6SX1
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50033850
PNG
(1-[3-(5-Methoxy-3,4-dihydro-naphthalen-1-yl)-propy...)
Show SMILES COc1cccc2C(CCCN3CCN(CC3)c3ccccc3)=CCCc12 |c:24|
Show InChI InChI=1S/C24H30N2O/c1-27-24-14-6-12-22-20(8-5-13-23(22)24)9-7-15-25-16-18-26(19-17-25)21-10-3-2-4-11-21/h2-4,6,8,10-12,14H,5,7,9,13,15-19H2,1H3
PDB

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UniChem

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PubMed
n/an/a 303n/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)


BindingDB Entry DOI: 10.7270/Q2SQ8ZD0
More data for this
Ligand-Target Pair