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BDBM50033839 1-(2-Methoxy-phenyl)-4-[3-(5-methoxy-1,2,3,4-tetrahydro-naphthalen-1-yl)-propyl]-piperazine::CHEMBL26929

SMILES: COc1cccc2C(CCCN3CCN(CC3)c3ccccc3OC)CCCc12

InChI Key: InChIKey=INGWKGCHJJYQIB-UHFFFAOYSA-N

Data: 3 KI  12 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 15 hits for monomerid = 50033839   
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-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50033839
PNG
(1-(2-Methoxy-phenyl)-4-[3-(5-methoxy-1,2,3,4-tetra...)
Show SMILES COc1cccc2C(CCCN3CCN(CC3)c3ccccc3OC)CCCc12
Show InChI InChI=1S/C25H34N2O2/c1-28-24-14-6-10-21-20(8-5-11-22(21)24)9-7-15-26-16-18-27(19-17-26)23-12-3-4-13-25(23)29-2/h3-4,6,10,12-14,20H,5,7-9,11,15-19H2,1-2H3
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1n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from Alpha-1 adrenergic receptor of rat cerebral cortex


Bioorg Med Chem Lett 7: 1327-1330 (1997)


Article DOI: 10.1016/S0960-894X(97)00218-7
BindingDB Entry DOI: 10.7270/Q2P55NJG
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50033839
PNG
(1-(2-Methoxy-phenyl)-4-[3-(5-methoxy-1,2,3,4-tetra...)
Show SMILES COc1cccc2C(CCCN3CCN(CC3)c3ccccc3OC)CCCc12
Show InChI InChI=1S/C25H34N2O2/c1-28-24-14-6-10-21-20(8-5-11-22(21)24)9-7-15-26-16-18-27(19-17-26)23-12-3-4-13-25(23)29-2/h3-4,6,10,12-14,20H,5,7-9,11,15-19H2,1-2H3
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7n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-spiperone from Dopamine receptor D2 of rat corpora striata synaptic membranes


Bioorg Med Chem Lett 7: 1327-1330 (1997)


Article DOI: 10.1016/S0960-894X(97)00218-7
BindingDB Entry DOI: 10.7270/Q2P55NJG
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50033839
PNG
(1-(2-Methoxy-phenyl)-4-[3-(5-methoxy-1,2,3,4-tetra...)
Show SMILES COc1cccc2C(CCCN3CCN(CC3)c3ccccc3OC)CCCc12
Show InChI InChI=1S/C25H34N2O2/c1-28-24-14-6-10-21-20(8-5-11-22(21)24)9-7-15-26-16-18-27(19-17-26)23-12-3-4-13-25(23)29-2/h3-4,6,10,12-14,20H,5,7-9,11,15-19H2,1-2H3
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37n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-YM-09151-2 from human Dopamine receptor D4.2 expressed in baculovirus Sf9 cells


Bioorg Med Chem Lett 7: 1327-1330 (1997)


Article DOI: 10.1016/S0960-894X(97)00218-7
BindingDB Entry DOI: 10.7270/Q2P55NJG
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50033839
PNG
(1-(2-Methoxy-phenyl)-4-[3-(5-methoxy-1,2,3,4-tetra...)
Show SMILES COc1cccc2C(CCCN3CCN(CC3)c3ccccc3OC)CCCc12
Show InChI InChI=1S/C25H34N2O2/c1-28-24-14-6-10-21-20(8-5-11-22(21)24)9-7-15-26-16-18-27(19-17-26)23-12-3-4-13-25(23)29-2/h3-4,6,10,12-14,20H,5,7-9,11,15-19H2,1-2H3
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n/an/a 20n/an/an/an/an/an/a



Universitá di Bari

Curated by ChEMBL


Assay Description
In vitro binding affinity at human cloned Dopamine receptor D2 by [3H]-spiroperidol displacement.


J Med Chem 41: 4903-9 (1998)


Article DOI: 10.1021/jm981041x
BindingDB Entry DOI: 10.7270/Q2S46R3V
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50033839
PNG
(1-(2-Methoxy-phenyl)-4-[3-(5-methoxy-1,2,3,4-tetra...)
Show SMILES COc1cccc2C(CCCN3CCN(CC3)c3ccccc3OC)CCCc12
Show InChI InChI=1S/C25H34N2O2/c1-28-24-14-6-10-21-20(8-5-11-22(21)24)9-7-15-26-16-18-27(19-17-26)23-12-3-4-13-25(23)29-2/h3-4,6,10,12-14,20H,5,7-9,11,15-19H2,1-2H3
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n/an/a 18n/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
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50033839
PNG
(1-(2-Methoxy-phenyl)-4-[3-(5-methoxy-1,2,3,4-tetra...)
Show SMILES COc1cccc2C(CCCN3CCN(CC3)c3ccccc3OC)CCCc12
Show InChI InChI=1S/C25H34N2O2/c1-28-24-14-6-10-21-20(8-5-11-22(21)24)9-7-15-26-16-18-27(19-17-26)23-12-3-4-13-25(23)29-2/h3-4,6,10,12-14,20H,5,7-9,11,15-19H2,1-2H3
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n/an/a 0.770n/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
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50033839
PNG
(1-(2-Methoxy-phenyl)-4-[3-(5-methoxy-1,2,3,4-tetra...)
Show SMILES COc1cccc2C(CCCN3CCN(CC3)c3ccccc3OC)CCCc12
Show InChI InChI=1S/C25H34N2O2/c1-28-24-14-6-10-21-20(8-5-11-22(21)24)9-7-15-26-16-18-27(19-17-26)23-12-3-4-13-25(23)29-2/h3-4,6,10,12-14,20H,5,7-9,11,15-19H2,1-2H3
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n/an/a 18n/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))
BDBM50033839
PNG
(1-(2-Methoxy-phenyl)-4-[3-(5-methoxy-1,2,3,4-tetra...)
Show SMILES COc1cccc2C(CCCN3CCN(CC3)c3ccccc3OC)CCCc12
Show InChI InChI=1S/C25H34N2O2/c1-28-24-14-6-10-21-20(8-5-11-22(21)24)9-7-15-26-16-18-27(19-17-26)23-12-3-4-13-25(23)29-2/h3-4,6,10,12-14,20H,5,7-9,11,15-19H2,1-2H3
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n/an/a 0.770n/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))
BDBM50033839
PNG
(1-(2-Methoxy-phenyl)-4-[3-(5-methoxy-1,2,3,4-tetra...)
Show SMILES COc1cccc2C(CCCN3CCN(CC3)c3ccccc3OC)CCCc12
Show InChI InChI=1S/C25H34N2O2/c1-28-24-14-6-10-21-20(8-5-11-22(21)24)9-7-15-26-16-18-27(19-17-26)23-12-3-4-13-25(23)29-2/h3-4,6,10,12-14,20H,5,7-9,11,15-19H2,1-2H3
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n/an/a 330n/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))
BDBM50033839
PNG
(1-(2-Methoxy-phenyl)-4-[3-(5-methoxy-1,2,3,4-tetra...)
Show SMILES COc1cccc2C(CCCN3CCN(CC3)c3ccccc3OC)CCCc12
Show InChI InChI=1S/C25H34N2O2/c1-28-24-14-6-10-21-20(8-5-11-22(21)24)9-7-15-26-16-18-27(19-17-26)23-12-3-4-13-25(23)29-2/h3-4,6,10,12-14,20H,5,7-9,11,15-19H2,1-2H3
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n/an/a 0.770n/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
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50033839
PNG
(1-(2-Methoxy-phenyl)-4-[3-(5-methoxy-1,2,3,4-tetra...)
Show SMILES COc1cccc2C(CCCN3CCN(CC3)c3ccccc3OC)CCCc12
Show InChI InChI=1S/C25H34N2O2/c1-28-24-14-6-10-21-20(8-5-11-22(21)24)9-7-15-26-16-18-27(19-17-26)23-12-3-4-13-25(23)29-2/h3-4,6,10,12-14,20H,5,7-9,11,15-19H2,1-2H3
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n/an/a 18n/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 receptors; D2 & D4


(Homo sapiens (Human))
BDBM50033839
PNG
(1-(2-Methoxy-phenyl)-4-[3-(5-methoxy-1,2,3,4-tetra...)
Show SMILES COc1cccc2C(CCCN3CCN(CC3)c3ccccc3OC)CCCc12
Show InChI InChI=1S/C25H34N2O2/c1-28-24-14-6-10-21-20(8-5-11-22(21)24)9-7-15-26-16-18-27(19-17-26)23-12-3-4-13-25(23)29-2/h3-4,6,10,12-14,20H,5,7-9,11,15-19H2,1-2H3
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PubMed
n/an/a 60n/an/an/an/an/an/a



Universitá di Bari

Curated by ChEMBL


Assay Description
In vitro binding affinity at human cloned Dopamine receptor D4.2 by [3H]-YM-09151-2 displacement.


J Med Chem 41: 4903-9 (1998)


Article DOI: 10.1021/jm981041x
BindingDB Entry DOI: 10.7270/Q2S46R3V
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50033839
PNG
(1-(2-Methoxy-phenyl)-4-[3-(5-methoxy-1,2,3,4-tetra...)
Show SMILES COc1cccc2C(CCCN3CCN(CC3)c3ccccc3OC)CCCc12
Show InChI InChI=1S/C25H34N2O2/c1-28-24-14-6-10-21-20(8-5-11-22(21)24)9-7-15-26-16-18-27(19-17-26)23-12-3-4-13-25(23)29-2/h3-4,6,10,12-14,20H,5,7-9,11,15-19H2,1-2H3
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n/an/a 20n/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))
BDBM50033839
PNG
(1-(2-Methoxy-phenyl)-4-[3-(5-methoxy-1,2,3,4-tetra...)
Show SMILES COc1cccc2C(CCCN3CCN(CC3)c3ccccc3OC)CCCc12
Show InChI InChI=1S/C25H34N2O2/c1-28-24-14-6-10-21-20(8-5-11-22(21)24)9-7-15-26-16-18-27(19-17-26)23-12-3-4-13-25(23)29-2/h3-4,6,10,12-14,20H,5,7-9,11,15-19H2,1-2H3
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n/an/a 0.320n/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)
BDBM50033839
PNG
(1-(2-Methoxy-phenyl)-4-[3-(5-methoxy-1,2,3,4-tetra...)
Show SMILES COc1cccc2C(CCCN3CCN(CC3)c3ccccc3OC)CCCc12
Show InChI InChI=1S/C25H34N2O2/c1-28-24-14-6-10-21-20(8-5-11-22(21)24)9-7-15-26-16-18-27(19-17-26)23-12-3-4-13-25(23)29-2/h3-4,6,10,12-14,20H,5,7-9,11,15-19H2,1-2H3
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PubMed
n/an/a 59.9n/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