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BDBM50033857 1-[3-(5-Methoxy-1,2,3,4-tetrahydro-naphthalen-1-yl)-propyl]-4-phenyl-piperazine::CHEMBL322275

SMILES: COc1cccc2C(CCCN3CCN(CC3)c3ccccc3)CCCc12

InChI Key: InChIKey=JGCUFOXBUYJGBX-UHFFFAOYSA-N

Data: 10 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 10 hits for monomerid = 50033857   
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
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50033857
PNG
(1-[3-(5-Methoxy-1,2,3,4-tetrahydro-naphthalen-1-yl...)
Show SMILES COc1cccc2C(CCCN3CCN(CC3)c3ccccc3)CCCc12
Show InChI InChI=1S/C24H32N2O/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/h2-4,6,10-12,14,20H,5,7-9,13,15-19H2,1H3
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Article
PubMed
n/an/a 0.360n/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
Sigma non-opioid intracellular receptor 1


(HUMAN)
BDBM50033857
PNG
(1-[3-(5-Methoxy-1,2,3,4-tetrahydro-naphthalen-1-yl...)
Show SMILES COc1cccc2C(CCCN3CCN(CC3)c3ccccc3)CCCc12
Show InChI InChI=1S/C24H32N2O/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/h2-4,6,10-12,14,20H,5,7-9,13,15-19H2,1H3
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n/an/a 198n/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))
BDBM50033857
PNG
(1-[3-(5-Methoxy-1,2,3,4-tetrahydro-naphthalen-1-yl...)
Show SMILES COc1cccc2C(CCCN3CCN(CC3)c3ccccc3)CCCc12
Show InChI InChI=1S/C24H32N2O/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/h2-4,6,10-12,14,20H,5,7-9,13,15-19H2,1H3
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n/an/a 96.7n/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
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50033857
PNG
(1-[3-(5-Methoxy-1,2,3,4-tetrahydro-naphthalen-1-yl...)
Show SMILES COc1cccc2C(CCCN3CCN(CC3)c3ccccc3)CCCc12
Show InChI InChI=1S/C24H32N2O/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/h2-4,6,10-12,14,20H,5,7-9,13,15-19H2,1H3
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n/an/a 110n/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
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50033857
PNG
(1-[3-(5-Methoxy-1,2,3,4-tetrahydro-naphthalen-1-yl...)
Show SMILES COc1cccc2C(CCCN3CCN(CC3)c3ccccc3)CCCc12
Show InChI InChI=1S/C24H32N2O/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/h2-4,6,10-12,14,20H,5,7-9,13,15-19H2,1H3
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PubMed
n/an/a 110n/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
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50033857
PNG
(1-[3-(5-Methoxy-1,2,3,4-tetrahydro-naphthalen-1-yl...)
Show SMILES COc1cccc2C(CCCN3CCN(CC3)c3ccccc3)CCCc12
Show InChI InChI=1S/C24H32N2O/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/h2-4,6,10-12,14,20H,5,7-9,13,15-19H2,1H3
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n/an/a 110n/an/an/an/an/an/a



Universit£ di Bari

Curated by ChEMBL


Assay Description
Binding affinity to rat Dopamine receptor D2 expressed in CHO cells was determined using [125 I ] iodosulpride 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
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50033857
PNG
(1-[3-(5-Methoxy-1,2,3,4-tetrahydro-naphthalen-1-yl...)
Show SMILES COc1cccc2C(CCCN3CCN(CC3)c3ccccc3)CCCc12
Show InChI InChI=1S/C24H32N2O/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/h2-4,6,10-12,14,20H,5,7-9,13,15-19H2,1H3
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PubMed
n/an/a 0.5n/an/an/an/an/an/a



Universit£ di Bari

Curated by ChEMBL


Assay Description
Binding affinity against serotonin 5-hydroxytryptamine 1A receptor in rat hippocampus membrane 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
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50033857
PNG
(1-[3-(5-Methoxy-1,2,3,4-tetrahydro-naphthalen-1-yl...)
Show SMILES COc1cccc2C(CCCN3CCN(CC3)c3ccccc3)CCCc12
Show InChI InChI=1S/C24H32N2O/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/h2-4,6,10-12,14,20H,5,7-9,13,15-19H2,1H3
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Article
PubMed
n/an/a 0.5n/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
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50033857
PNG
(1-[3-(5-Methoxy-1,2,3,4-tetrahydro-naphthalen-1-yl...)
Show SMILES COc1cccc2C(CCCN3CCN(CC3)c3ccccc3)CCCc12
Show InChI InChI=1S/C24H32N2O/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/h2-4,6,10-12,14,20H,5,7-9,13,15-19H2,1H3
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PubMed
n/an/a 230n/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
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50033857
PNG
(1-[3-(5-Methoxy-1,2,3,4-tetrahydro-naphthalen-1-yl...)
Show SMILES COc1cccc2C(CCCN3CCN(CC3)c3ccccc3)CCCc12
Show InChI InChI=1S/C24H32N2O/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/h2-4,6,10-12,14,20H,5,7-9,13,15-19H2,1H3
KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 0.5n/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