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11 similar compounds to monomer 50068362

Compile data set for download or QSAR
Wt: 352.4
BDBM66287
Purchase
Wt: 357.4
BDBM50019960
Purchase
Wt: 339.4
BDBM50056024
Purchase
Wt: 383.4
BDBM50068374
Wt: 399.4
BDBM50068377
Wt: 397.5
BDBM50122027
Wt: 353.4
BDBM50122028
Wt: 339.4
BDBM50122034
Purchase
Wt: 369.4
BDBM50122036
Purchase
Wt: 411.5
BDBM50122055
Wt: 389.4
BDBM50324887

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 46 hits for monomerid = 66287,50019960,50056024,50068374,50068377,50122027,50122028,50122034,50122036,50122055,50324887   
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
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50122028
PNG
(3-Methoxy-N-[2-(4-p-tolyl-piperazin-1-yl)-ethyl]-b...)
Show SMILES COc1cccc(c1)C(=O)NCCN1CCN(CC1)c1ccc(C)cc1
Show InChI InChI=1S/C21H27N3O2/c1-17-6-8-19(9-7-17)24-14-12-23(13-15-24)11-10-22-21(25)18-4-3-5-20(16-18)26-2/h3-9,16H,10-15H2,1-2H3,(H,22,25)
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0.0250n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Bari

Curated by ChEMBL


Assay Description
Binding affinity towards human Dopamine receptor D4 using [3H]spiroperidol as radioligand


J Med Chem 45: 5727-35 (2002)


Article DOI: 10.1021/jm020952a
BindingDB Entry DOI: 10.7270/Q2TT4RQC
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50019960
PNG
(4-Fluoro-N-{2-[4-(2-methoxy-phenyl)-piperazin-1-yl...)
Show SMILES COc1ccccc1N1CCN(CCNC(=O)c2ccc(F)cc2)CC1
Show InChI InChI=1S/C20H24FN3O2/c1-26-19-5-3-2-4-18(19)24-14-12-23(13-15-24)11-10-22-20(25)16-6-8-17(21)9-7-16/h2-9H,10-15H2,1H3,(H,22,25)
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1n/an/an/an/an/an/an/an/a



Solvay Pharma

Curated by ChEMBL


Assay Description
Binding affinity for 5-hydroxytryptamine 1A receptor determined using [3H]-8-OH-DPAT as radioligand


Bioorg Med Chem Lett 11: 2345-9 (2001)


Article DOI: 10.1016/s0960-894x(01)00425-5
BindingDB Entry DOI: 10.7270/Q2RR1XH9
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50019960
PNG
(4-Fluoro-N-{2-[4-(2-methoxy-phenyl)-piperazin-1-yl...)
Show SMILES COc1ccccc1N1CCN(CCNC(=O)c2ccc(F)cc2)CC1
Show InChI InChI=1S/C20H24FN3O2/c1-26-19-5-3-2-4-18(19)24-14-12-23(13-15-24)11-10-22-20(25)16-6-8-17(21)9-7-16/h2-9H,10-15H2,1H3,(H,22,25)
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1n/an/an/an/an/an/an/an/a



Solvay Pharma

Curated by ChEMBL


Assay Description
Binding affinity was evaluated by determining in vitro displacement of [3H]-8-OH-DPAT from the central 5-hydroxytryptamine 1A receptor recognition si...


J Med Chem 40: 300-12 (1997)


Article DOI: 10.1021/jm960496o
BindingDB Entry DOI: 10.7270/Q27W6B96
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50056024
PNG
(CHEMBL106854 | N-{2-[4-(2-Methoxy-phenyl)-piperazi...)
Show SMILES COc1ccccc1N1CCN(CCNC(=O)c2ccccc2)CC1
Show InChI InChI=1S/C20H25N3O2/c1-25-19-10-6-5-9-18(19)23-15-13-22(14-16-23)12-11-21-20(24)17-7-3-2-4-8-17/h2-10H,11-16H2,1H3,(H,21,24)
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1.30n/an/an/an/an/an/an/an/a



Solvay Pharma

Curated by ChEMBL


Assay Description
Binding affinity was evaluated by determining in vitro displacement of [3H]-8-OH-DPAT from the central 5-hydroxytryptamine 1A receptor recognition si...


J Med Chem 40: 300-12 (1997)


Article DOI: 10.1021/jm960496o
BindingDB Entry DOI: 10.7270/Q27W6B96
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50324887
PNG
(CHEMBL1221498 | N-(2-(4-(2-methoxyphenyl)piperazin...)
Show SMILES COc1ccccc1N1CCN(CCNC(=O)c2ccc3ccccc3c2)CC1
Show InChI InChI=1S/C24H27N3O2/c1-29-23-9-5-4-8-22(23)27-16-14-26(15-17-27)13-12-25-24(28)21-11-10-19-6-2-3-7-20(19)18-21/h2-11,18H,12-17H2,1H3,(H,25,28)
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1.69n/an/an/an/an/an/an/an/a



University of Liège

Curated by ChEMBL


Assay Description
Displacement of [3H]MK912 from human alpha2A receptor after 60 mins


Bioorg Med Chem Lett 20: 5199-202 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.002
BindingDB Entry DOI: 10.7270/Q2445MPJ
More data for this
Ligand-Target Pair
Dopamine receptor


(Rattus norvegicus (Rat))
BDBM50122027
PNG
(3-Methoxy-N-{4-[4-(2-methoxy-phenyl)-piperazin-1-y...)
Show SMILES COc1cccc(c1)C(=O)NCCCCN1CCN(CC1)c1ccccc1OC
Show InChI InChI=1S/C23H31N3O3/c1-28-20-9-7-8-19(18-20)23(27)24-12-5-6-13-25-14-16-26(17-15-25)21-10-3-4-11-22(21)29-2/h3-4,7-11,18H,5-6,12-17H2,1-2H3,(H,24,27)
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1.70n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Bari

Curated by ChEMBL


Assay Description
Binding affinity towards Dopamine receptor D3 of rat using [3H]spiroperidol as radioligand


J Med Chem 45: 5727-35 (2002)


Article DOI: 10.1021/jm020952a
BindingDB Entry DOI: 10.7270/Q2TT4RQC
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50068374
PNG
(3-Methoxy-N-{3-[4-(2-methoxy-phenyl)-piperazin-1-y...)
Show SMILES COc1cccc(c1)C(=O)NCCCN1CCN(CC1)c1ccccc1OC
Show InChI InChI=1S/C22H29N3O3/c1-27-19-8-5-7-18(17-19)22(26)23-11-6-12-24-13-15-25(16-14-24)20-9-3-4-10-21(20)28-2/h3-5,7-10,17H,6,11-16H2,1-2H3,(H,23,26)
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1.80n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Bari

Curated by ChEMBL


Assay Description
Binding affinity towards human Dopamine receptor D4 using [3H]spiroperidol as radioligand


J Med Chem 45: 5727-35 (2002)


Article DOI: 10.1021/jm020952a
BindingDB Entry DOI: 10.7270/Q2TT4RQC
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50122034
PNG
(3-Methoxy-N-[2-(4-phenyl-piperazin-1-yl)-ethyl]-be...)
Show SMILES COc1cccc(c1)C(=O)NCCN1CCN(CC1)c1ccccc1
Show InChI InChI=1S/C20H25N3O2/c1-25-19-9-5-6-17(16-19)20(24)21-10-11-22-12-14-23(15-13-22)18-7-3-2-4-8-18/h2-9,16H,10-15H2,1H3,(H,21,24)
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2.20n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Bari

Curated by ChEMBL


Assay Description
Binding affinity towards human Dopamine receptor D4 using [3H]spiroperidol as radioligand


J Med Chem 45: 5727-35 (2002)


Article DOI: 10.1021/jm020952a
BindingDB Entry DOI: 10.7270/Q2TT4RQC
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50324887
PNG
(CHEMBL1221498 | N-(2-(4-(2-methoxyphenyl)piperazin...)
Show SMILES COc1ccccc1N1CCN(CCNC(=O)c2ccc3ccccc3c2)CC1
Show InChI InChI=1S/C24H27N3O2/c1-29-23-9-5-4-8-22(23)27-16-14-26(15-17-27)13-12-25-24(28)21-11-10-19-6-2-3-7-20(19)18-21/h2-11,18H,12-17H2,1H3,(H,25,28)
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2.32n/an/an/an/an/an/an/an/a



University of Liège

Curated by ChEMBL


Assay Description
Displacement of [3H]8OH-DPAT from human 5HT1A receptor after 60 mins


Bioorg Med Chem Lett 20: 5199-202 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.002
BindingDB Entry DOI: 10.7270/Q2445MPJ
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50122027
PNG
(3-Methoxy-N-{4-[4-(2-methoxy-phenyl)-piperazin-1-y...)
Show SMILES COc1cccc(c1)C(=O)NCCCCN1CCN(CC1)c1ccccc1OC
Show InChI InChI=1S/C23H31N3O3/c1-28-20-9-7-8-19(18-20)23(27)24-12-5-6-13-25-14-16-26(17-15-25)21-10-3-4-11-22(21)29-2/h3-4,7-11,18H,5-6,12-17H2,1-2H3,(H,24,27)
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3.10n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Bari

Curated by ChEMBL


Assay Description
Binding affinity towards human Dopamine receptor D4 using [3H]spiroperidol as radioligand


J Med Chem 45: 5727-35 (2002)


Article DOI: 10.1021/jm020952a
BindingDB Entry DOI: 10.7270/Q2TT4RQC
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50019960
PNG
(4-Fluoro-N-{2-[4-(2-methoxy-phenyl)-piperazin-1-yl...)
Show SMILES COc1ccccc1N1CCN(CCNC(=O)c2ccc(F)cc2)CC1
Show InChI InChI=1S/C20H24FN3O2/c1-26-19-5-3-2-4-18(19)24-14-12-23(13-15-24)11-10-22-20(25)16-6-8-17(21)9-7-16/h2-9H,10-15H2,1H3,(H,22,25)
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4.30n/an/an/an/an/an/an/an/a



Duphar Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-Spiperone from Dopamine receptor D2 in rat striatum


J Med Chem 31: 1934-40 (1988)


Article DOI: 10.1021/jm00118a011
BindingDB Entry DOI: 10.7270/Q2SJ1JMB
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50122055
PNG
(3-Methoxy-N-{5-[4-(2-methoxy-phenyl)-piperazin-1-y...)
Show SMILES COc1cccc(c1)C(=O)NCCCCCN1CCN(CC1)c1ccccc1OC
Show InChI InChI=1S/C24H33N3O3/c1-29-21-10-8-9-20(19-21)24(28)25-13-6-3-7-14-26-15-17-27(18-16-26)22-11-4-5-12-23(22)30-2/h4-5,8-12,19H,3,6-7,13-18H2,1-2H3,(H,25,28)
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4.5n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Bari

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 1A receptor from rat hippocampal membranes


J Med Chem 45: 5727-35 (2002)


Article DOI: 10.1021/jm020952a
BindingDB Entry DOI: 10.7270/Q2TT4RQC
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50019960
PNG
(4-Fluoro-N-{2-[4-(2-methoxy-phenyl)-piperazin-1-yl...)
Show SMILES COc1ccccc1N1CCN(CCNC(=O)c2ccc(F)cc2)CC1
Show InChI InChI=1S/C20H24FN3O2/c1-26-19-5-3-2-4-18(19)24-14-12-23(13-15-24)11-10-22-20(25)16-6-8-17(21)9-7-16/h2-9H,10-15H2,1H3,(H,22,25)
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5n/an/an/an/an/an/an/an/a



Solvay Pharma

Curated by ChEMBL


Assay Description
Binding affinity for dopamine receptor D2 determined using [3H]-spiperone


Bioorg Med Chem Lett 11: 2345-9 (2001)


Article DOI: 10.1016/s0960-894x(01)00425-5
BindingDB Entry DOI: 10.7270/Q2RR1XH9
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50019960
PNG
(4-Fluoro-N-{2-[4-(2-methoxy-phenyl)-piperazin-1-yl...)
Show SMILES COc1ccccc1N1CCN(CCNC(=O)c2ccc(F)cc2)CC1
Show InChI InChI=1S/C20H24FN3O2/c1-26-19-5-3-2-4-18(19)24-14-12-23(13-15-24)11-10-22-20(25)16-6-8-17(21)9-7-16/h2-9H,10-15H2,1H3,(H,22,25)
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5n/an/an/an/an/an/an/an/a



Solvay Pharma

Curated by ChEMBL


Assay Description
In vitro displacement of [3H]-spiperone from Dopamine receptor D2 binding site in rat striatum.


J Med Chem 40: 300-12 (1997)


Article DOI: 10.1021/jm960496o
BindingDB Entry DOI: 10.7270/Q27W6B96
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50019960
PNG
(4-Fluoro-N-{2-[4-(2-methoxy-phenyl)-piperazin-1-yl...)
Show SMILES COc1ccccc1N1CCN(CCNC(=O)c2ccc(F)cc2)CC1
Show InChI InChI=1S/C20H24FN3O2/c1-26-19-5-3-2-4-18(19)24-14-12-23(13-15-24)11-10-22-20(25)16-6-8-17(21)9-7-16/h2-9H,10-15H2,1H3,(H,22,25)
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5n/an/an/an/an/an/an/an/a



Duphar Research Laboratories

Curated by ChEMBL


Assay Description
Ability to inhibit the [3H]spiperone binding to striatum Dopamine receptor D2 was determined in rat


J Med Chem 30: 2099-104 (1987)


Article DOI: 10.1021/jm00394a028
BindingDB Entry DOI: 10.7270/Q2W959R8
More data for this
Ligand-Target Pair
Dopamine receptor


(Rattus norvegicus (Rat))
BDBM50122055
PNG
(3-Methoxy-N-{5-[4-(2-methoxy-phenyl)-piperazin-1-y...)
Show SMILES COc1cccc(c1)C(=O)NCCCCCN1CCN(CC1)c1ccccc1OC
Show InChI InChI=1S/C24H33N3O3/c1-29-21-10-8-9-20(19-21)24(28)25-13-6-3-7-14-26-15-17-27(18-16-26)22-11-4-5-12-23(22)30-2/h4-5,8-12,19H,3,6-7,13-18H2,1-2H3,(H,25,28)
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5.30n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Bari

Curated by ChEMBL


Assay Description
Binding affinity towards Dopamine receptor D3 of rat using [3H]spiroperidol as radioligand


J Med Chem 45: 5727-35 (2002)


Article DOI: 10.1021/jm020952a
BindingDB Entry DOI: 10.7270/Q2TT4RQC
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50122027
PNG
(3-Methoxy-N-{4-[4-(2-methoxy-phenyl)-piperazin-1-y...)
Show SMILES COc1cccc(c1)C(=O)NCCCCN1CCN(CC1)c1ccccc1OC
Show InChI InChI=1S/C23H31N3O3/c1-28-20-9-7-8-19(18-20)23(27)24-12-5-6-13-25-14-16-26(17-15-25)21-10-3-4-11-22(21)29-2/h3-4,7-11,18H,5-6,12-17H2,1-2H3,(H,24,27)
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7.5n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Bari

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 1A receptor from rat hippocampal membranes


J Med Chem 45: 5727-35 (2002)


Article DOI: 10.1021/jm020952a
BindingDB Entry DOI: 10.7270/Q2TT4RQC
More data for this
Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50019960
PNG
(4-Fluoro-N-{2-[4-(2-methoxy-phenyl)-piperazin-1-yl...)
Show SMILES COc1ccccc1N1CCN(CCNC(=O)c2ccc(F)cc2)CC1
Show InChI InChI=1S/C20H24FN3O2/c1-26-19-5-3-2-4-18(19)24-14-12-23(13-15-24)11-10-22-20(25)16-6-8-17(21)9-7-16/h2-9H,10-15H2,1H3,(H,22,25)
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9n/an/an/an/an/an/an/an/a



Duphar Research Laboratories

Curated by ChEMBL


Assay Description
Ability to inhibit [3H]WB-4101 binding to alpha-1 adrenergic receptor was determined in rat


J Med Chem 30: 2099-104 (1987)


Article DOI: 10.1021/jm00394a028
BindingDB Entry DOI: 10.7270/Q2W959R8
More data for this
Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50019960
PNG
(4-Fluoro-N-{2-[4-(2-methoxy-phenyl)-piperazin-1-yl...)
Show SMILES COc1ccccc1N1CCN(CCNC(=O)c2ccc(F)cc2)CC1
Show InChI InChI=1S/C20H24FN3O2/c1-26-19-5-3-2-4-18(19)24-14-12-23(13-15-24)11-10-22-20(25)16-6-8-17(21)9-7-16/h2-9H,10-15H2,1H3,(H,22,25)
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9n/an/an/an/an/an/an/an/a



Duphar Research Laboratories

Curated by ChEMBL


Assay Description
Potency to displace [3H]- WB-4101 from alpha-1 adrenergic receptor in rat striatum


J Med Chem 31: 1934-40 (1988)


Article DOI: 10.1021/jm00118a011
BindingDB Entry DOI: 10.7270/Q2SJ1JMB
More data for this
Ligand-Target Pair
Dopamine receptor


(RAT)
BDBM50122028
PNG
(3-Methoxy-N-[2-(4-p-tolyl-piperazin-1-yl)-ethyl]-b...)
Show SMILES COc1cccc(c1)C(=O)NCCN1CCN(CC1)c1ccc(C)cc1
Show InChI InChI=1S/C21H27N3O2/c1-17-6-8-19(9-7-17)24-14-12-23(13-15-24)11-10-22-21(25)18-4-3-5-20(16-18)26-2/h3-9,16H,10-15H2,1-2H3,(H,22,25)
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9.21n/an/an/an/an/an/an/an/a



Universita` degli Studi di Bari A Moro

Curated by ChEMBL


Assay Description
Displacement of [3H]MSP from rat dopamine D4 receptor expressed in HEK293 cells after 90 mins by scintillation counting


J Med Chem 53: 7344-55 (2010)


Article DOI: 10.1021/jm100925m
BindingDB Entry DOI: 10.7270/Q28G8KX3
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50056024
PNG
(CHEMBL106854 | N-{2-[4-(2-Methoxy-phenyl)-piperazi...)
Show SMILES COc1ccccc1N1CCN(CCNC(=O)c2ccccc2)CC1
Show InChI InChI=1S/C20H25N3O2/c1-25-19-10-6-5-9-18(19)23-15-13-22(14-16-23)12-11-21-20(24)17-7-3-2-4-8-17/h2-10H,11-16H2,1H3,(H,21,24)
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13n/an/an/an/an/an/an/an/a



Solvay Pharma

Curated by ChEMBL


Assay Description
In vitro displacement of [3H]-spiperone from Dopamine receptor D2 binding site in rat striatum.


J Med Chem 40: 300-12 (1997)


Article DOI: 10.1021/jm960496o
BindingDB Entry DOI: 10.7270/Q27W6B96
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50068374
PNG
(3-Methoxy-N-{3-[4-(2-methoxy-phenyl)-piperazin-1-y...)
Show SMILES COc1cccc(c1)C(=O)NCCCN1CCN(CC1)c1ccccc1OC
Show InChI InChI=1S/C22H29N3O3/c1-27-19-8-5-7-18(17-19)22(26)23-11-6-12-24-13-15-25(16-14-24)20-9-3-4-10-21(20)28-2/h3-5,7-10,17H,6,11-16H2,1-2H3,(H,23,26)
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19.8n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Bari

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 1A receptor from rat hippocampal membranes


J Med Chem 45: 5727-35 (2002)


Article DOI: 10.1021/jm020952a
BindingDB Entry DOI: 10.7270/Q2TT4RQC
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50122036
PNG
(3-Methoxy-N-{2-[4-(4-methoxy-phenyl)-piperazin-1-y...)
Show SMILES COc1ccc(cc1)N1CCN(CCNC(=O)c2cccc(OC)c2)CC1
Show InChI InChI=1S/C21H27N3O3/c1-26-19-8-6-18(7-9-19)24-14-12-23(13-15-24)11-10-22-21(25)17-4-3-5-20(16-17)27-2/h3-9,16H,10-15H2,1-2H3,(H,22,25)
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22.3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Bari

Curated by ChEMBL


Assay Description
Binding affinity towards human Dopamine receptor D4 using [3H]spiroperidol as radioligand


J Med Chem 45: 5727-35 (2002)


Article DOI: 10.1021/jm020952a
BindingDB Entry DOI: 10.7270/Q2TT4RQC
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50122055
PNG
(3-Methoxy-N-{5-[4-(2-methoxy-phenyl)-piperazin-1-y...)
Show SMILES COc1cccc(c1)C(=O)NCCCCCN1CCN(CC1)c1ccccc1OC
Show InChI InChI=1S/C24H33N3O3/c1-29-21-10-8-9-20(19-21)24(28)25-13-6-3-7-14-26-15-17-27(18-16-26)22-11-4-5-12-23(22)30-2/h4-5,8-12,19H,3,6-7,13-18H2,1-2H3,(H,25,28)
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55n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Bari

Curated by ChEMBL


Assay Description
Binding affinity towards human Dopamine receptor D4 using [3H]spiroperidol as radioligand


J Med Chem 45: 5727-35 (2002)


Article DOI: 10.1021/jm020952a
BindingDB Entry DOI: 10.7270/Q2TT4RQC
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50122034
PNG
(3-Methoxy-N-[2-(4-phenyl-piperazin-1-yl)-ethyl]-be...)
Show SMILES COc1cccc(c1)C(=O)NCCN1CCN(CC1)c1ccccc1
Show InChI InChI=1S/C20H25N3O2/c1-25-19-9-5-6-17(16-19)20(24)21-10-11-22-12-14-23(15-13-22)18-7-3-2-4-8-18/h2-9,16H,10-15H2,1H3,(H,21,24)
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59n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Bari

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 1A receptor from rat hippocampal membranes


J Med Chem 45: 5727-35 (2002)


Article DOI: 10.1021/jm020952a
BindingDB Entry DOI: 10.7270/Q2TT4RQC
More data for this
Ligand-Target Pair
Dopamine receptor


(Rattus norvegicus (Rat))
BDBM50324887
PNG
(CHEMBL1221498 | N-(2-(4-(2-methoxyphenyl)piperazin...)
Show SMILES COc1ccccc1N1CCN(CCNC(=O)c2ccc3ccccc3c2)CC1
Show InChI InChI=1S/C24H27N3O2/c1-29-23-9-5-4-8-22(23)27-16-14-26(15-17-27)13-12-25-24(28)21-11-10-19-6-2-3-7-20(19)18-21/h2-11,18H,12-17H2,1H3,(H,25,28)
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113n/an/an/an/an/an/an/an/a



University of Liège

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from rat dopamine D3 receptor after 60 mins


Bioorg Med Chem Lett 20: 5199-202 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.002
BindingDB Entry DOI: 10.7270/Q2445MPJ
More data for this
Ligand-Target Pair
Dopamine receptor


(Rattus norvegicus (Rat))
BDBM50068374
PNG
(3-Methoxy-N-{3-[4-(2-methoxy-phenyl)-piperazin-1-y...)
Show SMILES COc1cccc(c1)C(=O)NCCCN1CCN(CC1)c1ccccc1OC
Show InChI InChI=1S/C22H29N3O3/c1-27-19-8-5-7-18(17-19)22(26)23-11-6-12-24-13-15-25(16-14-24)20-9-3-4-10-21(20)28-2/h3-5,7-10,17H,6,11-16H2,1-2H3,(H,23,26)
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124n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Bari

Curated by ChEMBL


Assay Description
Binding affinity towards Dopamine receptor D3 of rat using [3H]spiroperidol as radioligand


J Med Chem 45: 5727-35 (2002)


Article DOI: 10.1021/jm020952a
BindingDB Entry DOI: 10.7270/Q2TT4RQC
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50122055
PNG
(3-Methoxy-N-{5-[4-(2-methoxy-phenyl)-piperazin-1-y...)
Show SMILES COc1cccc(c1)C(=O)NCCCCCN1CCN(CC1)c1ccccc1OC
Show InChI InChI=1S/C24H33N3O3/c1-29-21-10-8-9-20(19-21)24(28)25-13-6-3-7-14-26-15-17-27(18-16-26)22-11-4-5-12-23(22)30-2/h4-5,8-12,19H,3,6-7,13-18H2,1-2H3,(H,25,28)
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253n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Bari

Curated by ChEMBL


Assay Description
Binding affinity towards human Dopamine receptor D2 using [3H]spiroperidol as radioligand


J Med Chem 45: 5727-35 (2002)


Article DOI: 10.1021/jm020952a
BindingDB Entry DOI: 10.7270/Q2TT4RQC
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50122028
PNG
(3-Methoxy-N-[2-(4-p-tolyl-piperazin-1-yl)-ethyl]-b...)
Show SMILES COc1cccc(c1)C(=O)NCCN1CCN(CC1)c1ccc(C)cc1
Show InChI InChI=1S/C21H27N3O2/c1-17-6-8-19(9-7-17)24-14-12-23(13-15-24)11-10-22-21(25)18-4-3-5-20(16-18)26-2/h3-9,16H,10-15H2,1-2H3,(H,22,25)
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432n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Bari

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 1A receptor from rat hippocampal membranes


J Med Chem 45: 5727-35 (2002)


Article DOI: 10.1021/jm020952a
BindingDB Entry DOI: 10.7270/Q2TT4RQC
More data for this
Ligand-Target Pair
Dopamine receptor


(Rattus norvegicus (Rat))
BDBM50122034
PNG
(3-Methoxy-N-[2-(4-phenyl-piperazin-1-yl)-ethyl]-be...)
Show SMILES COc1cccc(c1)C(=O)NCCN1CCN(CC1)c1ccccc1
Show InChI InChI=1S/C20H25N3O2/c1-25-19-9-5-6-17(16-19)20(24)21-10-11-22-12-14-23(15-13-22)18-7-3-2-4-8-18/h2-9,16H,10-15H2,1H3,(H,21,24)
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674n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Bari

Curated by ChEMBL


Assay Description
Binding affinity towards Dopamine receptor D3 of rat using [3H]spiroperidol as radioligand


J Med Chem 45: 5727-35 (2002)


Article DOI: 10.1021/jm020952a
BindingDB Entry DOI: 10.7270/Q2TT4RQC
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50122027
PNG
(3-Methoxy-N-{4-[4-(2-methoxy-phenyl)-piperazin-1-y...)
Show SMILES COc1cccc(c1)C(=O)NCCCCN1CCN(CC1)c1ccccc1OC
Show InChI InChI=1S/C23H31N3O3/c1-28-20-9-7-8-19(18-20)23(27)24-12-5-6-13-25-14-16-26(17-15-25)21-10-3-4-11-22(21)29-2/h3-4,7-11,18H,5-6,12-17H2,1-2H3,(H,24,27)
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680n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Bari

Curated by ChEMBL


Assay Description
Binding affinity towards human Dopamine receptor D2 using [3H]spiroperidol as radioligand


J Med Chem 45: 5727-35 (2002)


Article DOI: 10.1021/jm020952a
BindingDB Entry DOI: 10.7270/Q2TT4RQC
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50019960
PNG
(4-Fluoro-N-{2-[4-(2-methoxy-phenyl)-piperazin-1-yl...)
Show SMILES COc1ccccc1N1CCN(CCNC(=O)c2ccc(F)cc2)CC1
Show InChI InChI=1S/C20H24FN3O2/c1-26-19-5-3-2-4-18(19)24-14-12-23(13-15-24)11-10-22-20(25)16-6-8-17(21)9-7-16/h2-9H,10-15H2,1H3,(H,22,25)
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700n/an/an/an/an/an/an/an/a



Duphar Research Laboratories

Curated by ChEMBL


Assay Description
Potency to displace [3H]- Spiperone from 5-hydroxytryptamine 2 receptor in rat striatum


J Med Chem 31: 1934-40 (1988)


Article DOI: 10.1021/jm00118a011
BindingDB Entry DOI: 10.7270/Q2SJ1JMB
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50019960
PNG
(4-Fluoro-N-{2-[4-(2-methoxy-phenyl)-piperazin-1-yl...)
Show SMILES COc1ccccc1N1CCN(CCNC(=O)c2ccc(F)cc2)CC1
Show InChI InChI=1S/C20H24FN3O2/c1-26-19-5-3-2-4-18(19)24-14-12-23(13-15-24)11-10-22-20(25)16-6-8-17(21)9-7-16/h2-9H,10-15H2,1H3,(H,22,25)
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700n/an/an/an/an/an/an/an/a



Duphar Research Laboratories

Curated by ChEMBL


Assay Description
Ability to inhibit [3H]spiperone binding to 5-hydroxytryptamine 2 receptor determined in rat


J Med Chem 30: 2099-104 (1987)


Article DOI: 10.1021/jm00394a028
BindingDB Entry DOI: 10.7270/Q2W959R8
More data for this
Ligand-Target Pair
Dopamine receptor


(Rattus norvegicus (Rat))
BDBM50122036
PNG
(3-Methoxy-N-{2-[4-(4-methoxy-phenyl)-piperazin-1-y...)
Show SMILES COc1ccc(cc1)N1CCN(CCNC(=O)c2cccc(OC)c2)CC1
Show InChI InChI=1S/C21H27N3O3/c1-26-19-8-6-18(7-9-19)24-14-12-23(13-15-24)11-10-22-21(25)17-4-3-5-20(16-17)27-2/h3-9,16H,10-15H2,1-2H3,(H,22,25)
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>850n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Bari

Curated by ChEMBL


Assay Description
Binding affinity towards Dopamine receptor D3 of rat using [3H]spiroperidol as radioligand


J Med Chem 45: 5727-35 (2002)


Article DOI: 10.1021/jm020952a
BindingDB Entry DOI: 10.7270/Q2TT4RQC
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50122036
PNG
(3-Methoxy-N-{2-[4-(4-methoxy-phenyl)-piperazin-1-y...)
Show SMILES COc1ccc(cc1)N1CCN(CCNC(=O)c2cccc(OC)c2)CC1
Show InChI InChI=1S/C21H27N3O3/c1-26-19-8-6-18(7-9-19)24-14-12-23(13-15-24)11-10-22-21(25)17-4-3-5-20(16-17)27-2/h3-9,16H,10-15H2,1-2H3,(H,22,25)
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>850n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Bari

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 1A receptor from rat hippocampal membranes


J Med Chem 45: 5727-35 (2002)


Article DOI: 10.1021/jm020952a
BindingDB Entry DOI: 10.7270/Q2TT4RQC
More data for this
Ligand-Target Pair
Dopamine receptor


(Rattus norvegicus (Rat))
BDBM50122028
PNG
(3-Methoxy-N-[2-(4-p-tolyl-piperazin-1-yl)-ethyl]-b...)
Show SMILES COc1cccc(c1)C(=O)NCCN1CCN(CC1)c1ccc(C)cc1
Show InChI InChI=1S/C21H27N3O2/c1-17-6-8-19(9-7-17)24-14-12-23(13-15-24)11-10-22-21(25)18-4-3-5-20(16-18)26-2/h3-9,16H,10-15H2,1-2H3,(H,22,25)
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>850n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Bari

Curated by ChEMBL


Assay Description
Binding affinity towards Dopamine receptor D3 of rat using [3H]spiroperidol as radioligand


J Med Chem 45: 5727-35 (2002)


Article DOI: 10.1021/jm020952a
BindingDB Entry DOI: 10.7270/Q2TT4RQC
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50324887
PNG
(CHEMBL1221498 | N-(2-(4-(2-methoxyphenyl)piperazin...)
Show SMILES COc1ccccc1N1CCN(CCNC(=O)c2ccc3ccccc3c2)CC1
Show InChI InChI=1S/C24H27N3O2/c1-29-23-9-5-4-8-22(23)27-16-14-26(15-17-27)13-12-25-24(28)21-11-10-19-6-2-3-7-20(19)18-21/h2-11,18H,12-17H2,1H3,(H,25,28)
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890n/an/an/an/an/an/an/an/a



University of Liège

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human D2L receptor after 60 mins


Bioorg Med Chem Lett 20: 5199-202 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.002
BindingDB Entry DOI: 10.7270/Q2445MPJ
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50122036
PNG
(3-Methoxy-N-{2-[4-(4-methoxy-phenyl)-piperazin-1-y...)
Show SMILES COc1ccc(cc1)N1CCN(CCNC(=O)c2cccc(OC)c2)CC1
Show InChI InChI=1S/C21H27N3O3/c1-26-19-8-6-18(7-9-19)24-14-12-23(13-15-24)11-10-22-21(25)17-4-3-5-20(16-17)27-2/h3-9,16H,10-15H2,1-2H3,(H,22,25)
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>1.00E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Bari

Curated by ChEMBL


Assay Description
Binding affinity towards human Dopamine receptor D2 using [3H]spiroperidol as radioligand


J Med Chem 45: 5727-35 (2002)


Article DOI: 10.1021/jm020952a
BindingDB Entry DOI: 10.7270/Q2TT4RQC
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50068374
PNG
(3-Methoxy-N-{3-[4-(2-methoxy-phenyl)-piperazin-1-y...)
Show SMILES COc1cccc(c1)C(=O)NCCCN1CCN(CC1)c1ccccc1OC
Show InChI InChI=1S/C22H29N3O3/c1-27-19-8-5-7-18(17-19)22(26)23-11-6-12-24-13-15-25(16-14-24)20-9-3-4-10-21(20)28-2/h3-5,7-10,17H,6,11-16H2,1-2H3,(H,23,26)
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2.99E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Bari

Curated by ChEMBL


Assay Description
Binding affinity towards human Dopamine receptor D2 using [3H]spiroperidol as radioligand


J Med Chem 45: 5727-35 (2002)


Article DOI: 10.1021/jm020952a
BindingDB Entry DOI: 10.7270/Q2TT4RQC
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50122028
PNG
(3-Methoxy-N-[2-(4-p-tolyl-piperazin-1-yl)-ethyl]-b...)
Show SMILES COc1cccc(c1)C(=O)NCCN1CCN(CC1)c1ccc(C)cc1
Show InChI InChI=1S/C21H27N3O2/c1-17-6-8-19(9-7-17)24-14-12-23(13-15-24)11-10-22-21(25)18-4-3-5-20(16-18)26-2/h3-9,16H,10-15H2,1-2H3,(H,22,25)
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7.46E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Bari

Curated by ChEMBL


Assay Description
Binding affinity towards human Dopamine receptor D2 using [3H]spiroperidol as radioligand


J Med Chem 45: 5727-35 (2002)


Article DOI: 10.1021/jm020952a
BindingDB Entry DOI: 10.7270/Q2TT4RQC
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50122034
PNG
(3-Methoxy-N-[2-(4-phenyl-piperazin-1-yl)-ethyl]-be...)
Show SMILES COc1cccc(c1)C(=O)NCCN1CCN(CC1)c1ccccc1
Show InChI InChI=1S/C20H25N3O2/c1-25-19-9-5-6-17(16-19)20(24)21-10-11-22-12-14-23(15-13-22)18-7-3-2-4-8-18/h2-9,16H,10-15H2,1H3,(H,21,24)
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>8.30E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Bari

Curated by ChEMBL


Assay Description
Binding affinity towards human Dopamine receptor D2 using [3H]spiroperidol as radioligand


J Med Chem 45: 5727-35 (2002)


Article DOI: 10.1021/jm020952a
BindingDB Entry DOI: 10.7270/Q2TT4RQC
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50068377
PNG
(2,5-Dimethoxy-N-{2-[4-(2-methoxy-phenyl)-piperazin...)
Show SMILES COc1ccc(OC)c(c1)C(=O)NCCN1CCN(CC1)c1ccccc1OC
Show InChI InChI=1S/C22H29N3O4/c1-27-17-8-9-20(28-2)18(16-17)22(26)23-10-11-24-12-14-25(15-13-24)19-6-4-5-7-21(19)29-3/h4-9,16H,10-15H2,1-3H3,(H,23,26)
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n/an/a 250n/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
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50068374
PNG
(3-Methoxy-N-{3-[4-(2-methoxy-phenyl)-piperazin-1-y...)
Show SMILES COc1cccc(c1)C(=O)NCCCN1CCN(CC1)c1ccccc1OC
Show InChI InChI=1S/C22H29N3O3/c1-27-19-8-5-7-18(17-19)22(26)23-11-6-12-24-13-15-25(16-14-24)20-9-3-4-10-21(20)28-2/h3-5,7-10,17H,6,11-16H2,1-2H3,(H,23,26)
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n/an/a>1.00E+3n/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
Bcl-2-like protein 11


(Homo sapiens (Human))
BDBM66287
PNG
((4-tert-butylphenyl)-[4-(2-methoxyphenyl)-1-pipera...)
Show SMILES COc1ccccc1N1CCN(CC1)C(=O)c1ccc(cc1)C(C)(C)C
Show InChI InChI=1S/C22H28N2O2/c1-22(2,3)18-11-9-17(10-12-18)21(25)24-15-13-23(14-16-24)19-7-5-6-8-20(19)26-4/h5-12H,13-16H2,1-4H3
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n/an/an/an/a>3.50E+5n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: apoptosis, BH3 domain, Bcl2-A1, BIM, caspase, cancer Primary Collaborator: Todd Golub, Broad Institute, golub@broadinstitute.org Assay Over...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q24J0CKJ
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50068377
PNG
(2,5-Dimethoxy-N-{2-[4-(2-methoxy-phenyl)-piperazin...)
Show SMILES COc1ccc(OC)c(c1)C(=O)NCCN1CCN(CC1)c1ccccc1OC
Show InChI InChI=1S/C22H29N3O4/c1-27-17-8-9-20(28-2)18(16-17)22(26)23-10-11-24-12-14-25(15-13-24)19-6-4-5-7-21(19)29-3/h4-9,16H,10-15H2,1-3H3,(H,23,26)
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n/an/a 7.80n/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 receptors; D2 & D4


(Homo sapiens (Human))
BDBM50068374
PNG
(3-Methoxy-N-{3-[4-(2-methoxy-phenyl)-piperazin-1-y...)
Show SMILES COc1cccc(c1)C(=O)NCCCN1CCN(CC1)c1ccccc1OC
Show InChI InChI=1S/C22H29N3O3/c1-27-19-8-5-7-18(17-19)22(26)23-11-6-12-24-13-15-25(16-14-24)20-9-3-4-10-21(20)28-2/h3-5,7-10,17H,6,11-16H2,1-2H3,(H,23,26)
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n/an/a 2.80n/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