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Compile Data Set for Download or QSAR

Found 137 hits Enz. Inhib. hit(s) with all data for entry = 50037101   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50122050
PNG
(CHEMBL156599 | N-{2-[4-(2,3-Dichloro-phenyl)-piper...)
Show SMILES COc1cccc(c1)C(=O)NCCN1CCN(CC1)c1cccc(Cl)c1Cl
Show InChI InChI=1S/C20H23Cl2N3O2/c1-27-16-5-2-4-15(14-16)20(26)23-8-9-24-10-12-25(13-11-24)18-7-3-6-17(21)19(18)22/h2-7,14H,8-13H2,1H3,(H,23,26)
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0.0180n/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)


BindingDB Entry DOI: 10.7270/Q2TT4RQC
More data for this
Ligand-Target Pair
D(4) 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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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)


BindingDB Entry DOI: 10.7270/Q2TT4RQC
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50068366
PNG
(CHEMBL93403 | N-{2-[4-(4-Chloro-phenyl)-piperazin-...)
Show SMILES COc1cccc(c1)C(=O)NCCN1CCN(CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C20H24ClN3O2/c1-26-19-4-2-3-16(15-19)20(25)22-9-10-23-11-13-24(14-12-23)18-7-5-17(21)6-8-18/h2-8,15H,9-14H2,1H3,(H,22,25)
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0.0400n/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)


BindingDB Entry DOI: 10.7270/Q2TT4RQC
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50122026
PNG
(CHEMBL157322 | N-{2-[4-(2-Chloro-phenyl)-piperazin...)
Show SMILES COc1cccc(c1)C(=O)NCCN1CCN(CC1)c1ccccc1Cl
Show InChI InChI=1S/C20H24ClN3O2/c1-26-17-6-4-5-16(15-17)20(25)22-9-10-23-11-13-24(14-12-23)19-8-3-2-7-18(19)21/h2-8,15H,9-14H2,1H3,(H,22,25)
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0.0400n/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)


BindingDB Entry DOI: 10.7270/Q2TT4RQC
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50068362
PNG
(3-Methoxy-N-{2-[4-(2-methoxy-phenyl)-piperazin-1-y...)
Show SMILES COc1cccc(c1)C(=O)NCCN1CCN(CC1)c1ccccc1OC
Show InChI InChI=1S/C21H27N3O3/c1-26-18-7-5-6-17(16-18)21(25)22-10-11-23-12-14-24(15-13-23)19-8-3-4-9-20(19)27-2/h3-9,16H,10-15H2,1-2H3,(H,22,25)
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0.0600n/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)


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


(Homo sapiens (Human))
BDBM21398
PNG
(4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...)
Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2
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0.120n/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)


BindingDB Entry DOI: 10.7270/Q2TT4RQC
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Rattus norvegicus (Rat))
BDBM50122029
PNG
(CHEMBL433741 | N-{4-[4-(2,3-Dimethyl-phenyl)-piper...)
Show SMILES COc1cccc(c1)C(=O)NCCCCN1CCN(CC1)c1cccc(C)c1C
Show InChI InChI=1S/C24H33N3O2/c1-19-8-6-11-23(20(19)2)27-16-14-26(15-17-27)13-5-4-12-25-24(28)21-9-7-10-22(18-21)29-3/h6-11,18H,4-5,12-17H2,1-3H3,(H,25,28)
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0.170n/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)


BindingDB Entry DOI: 10.7270/Q2TT4RQC
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Rattus norvegicus (Rat))
BDBM50122057
PNG
(1H-Indazole-3-carboxylic acid {4-[4-(2,3-dichloro-...)
Show SMILES Clc1cccc(N2CCN(CCCCNC(=O)c3[nH]nc4ccccc34)CC2)c1Cl
Show InChI InChI=1S/C22H25Cl2N5O/c23-17-7-5-9-19(20(17)24)29-14-12-28(13-15-29)11-4-3-10-25-22(30)21-16-6-1-2-8-18(16)26-27-21/h1-2,5-9H,3-4,10-15H2,(H,25,30)(H,26,27)
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0.180n/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)


BindingDB Entry DOI: 10.7270/Q2TT4RQC
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50122032
PNG
(3-Methoxy-N-[2-(4-naphthalen-1-yl-piperazin-1-yl)-...)
Show SMILES COc1cccc(c1)C(=O)NCCN1CCN(CC1)c1cccc2ccccc12
Show InChI InChI=1S/C24H27N3O2/c1-29-21-9-4-8-20(18-21)24(28)25-12-13-26-14-16-27(17-15-26)23-11-5-7-19-6-2-3-10-22(19)23/h2-11,18H,12-17H2,1H3,(H,25,28)
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0.210n/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)


BindingDB Entry DOI: 10.7270/Q2TT4RQC
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50122047
PNG
(CHEMBL157388 | N-{2-[4-(3-Chloro-phenyl)-piperazin...)
Show SMILES COc1cccc(c1)C(=O)NCCN1CCN(CC1)c1cccc(Cl)c1
Show InChI InChI=1S/C20H24ClN3O2/c1-26-19-7-2-4-16(14-19)20(25)22-8-9-23-10-12-24(13-11-23)18-6-3-5-17(21)15-18/h2-7,14-15H,8-13H2,1H3,(H,22,25)
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0.260n/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)


BindingDB Entry DOI: 10.7270/Q2TT4RQC
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Rattus norvegicus (Rat))
BDBM50122039
PNG
(CHEMBL152391 | N-{4-[4-(2,3-Dichloro-phenyl)-piper...)
Show SMILES COc1cccc(c1)C(=O)NCCCCN1CCN(CC1)c1cccc(Cl)c1Cl
Show InChI InChI=1S/C22H27Cl2N3O2/c1-29-18-7-4-6-17(16-18)22(28)25-10-2-3-11-26-12-14-27(15-13-26)20-9-5-8-19(23)21(20)24/h4-9,16H,2-3,10-15H2,1H3,(H,25,28)
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0.270n/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)


BindingDB Entry DOI: 10.7270/Q2TT4RQC
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Rattus norvegicus (Rat))
BDBM50084494
PNG
(CHEMBL315879 | N-{4-[4-(4-Chloro-phenyl)-piperazin...)
Show SMILES COc1cccc(c1)C(=O)NCCCCN1CCN(CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C22H28ClN3O2/c1-28-21-6-4-5-18(17-21)22(27)24-11-2-3-12-25-13-15-26(16-14-25)20-9-7-19(23)8-10-20/h4-10,17H,2-3,11-16H2,1H3,(H,24,27)
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0.410n/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)


BindingDB Entry DOI: 10.7270/Q2TT4RQC
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50122046
PNG
(3-Methoxy-N-[4-(4-naphthalen-1-yl-piperazin-1-yl)-...)
Show SMILES COc1cccc(c1)C(=O)NCCCCN1CCN(CC1)c1cccc2ccccc12
Show InChI InChI=1S/C26H31N3O2/c1-31-23-11-6-10-22(20-23)26(30)27-14-4-5-15-28-16-18-29(19-17-28)25-13-7-9-21-8-2-3-12-24(21)25/h2-3,6-13,20H,4-5,14-19H2,1H3,(H,27,30)
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0.430n/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)


BindingDB Entry DOI: 10.7270/Q2TT4RQC
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Rattus norvegicus (Rat))
BDBM50122046
PNG
(3-Methoxy-N-[4-(4-naphthalen-1-yl-piperazin-1-yl)-...)
Show SMILES COc1cccc(c1)C(=O)NCCCCN1CCN(CC1)c1cccc2ccccc12
Show InChI InChI=1S/C26H31N3O2/c1-31-23-11-6-10-22(20-23)26(30)27-14-4-5-15-28-16-18-29(19-17-28)25-13-7-9-21-8-2-3-12-24(21)25/h2-3,6-13,20H,4-5,14-19H2,1H3,(H,27,30)
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0.540n/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)


BindingDB Entry DOI: 10.7270/Q2TT4RQC
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Rattus norvegicus (Rat))
BDBM50122042
PNG
(CHEMBL154508 | N-(4-(4-(2,3-dichlorophenyl)piperaz...)
Show SMILES Clc1cccc(N2CCN(CCCCNC(=O)c3ccc4ccccc4c3)CC2)c1Cl
Show InChI InChI=1S/C25H27Cl2N3O/c26-22-8-5-9-23(24(22)27)30-16-14-29(15-17-30)13-4-3-12-28-25(31)21-11-10-19-6-1-2-7-20(19)18-21/h1-2,5-11,18H,3-4,12-17H2,(H,28,31)
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0.580n/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)


BindingDB Entry DOI: 10.7270/Q2TT4RQC
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Rattus norvegicus (Rat))
BDBM50122041
PNG
(1-Methoxy-naphthalene-2-carboxylic acid {4-[4-(2,3...)
Show SMILES COc1c(ccc2ccccc12)C(=O)NCCCCN1CCN(CC1)c1cccc(Cl)c1Cl
Show InChI InChI=1S/C26H29Cl2N3O2/c1-33-25-20-8-3-2-7-19(20)11-12-21(25)26(32)29-13-4-5-14-30-15-17-31(18-16-30)23-10-6-9-22(27)24(23)28/h2-3,6-12H,4-5,13-18H2,1H3,(H,29,32)
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0.600n/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)


BindingDB Entry DOI: 10.7270/Q2TT4RQC
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50122032
PNG
(3-Methoxy-N-[2-(4-naphthalen-1-yl-piperazin-1-yl)-...)
Show SMILES COc1cccc(c1)C(=O)NCCN1CCN(CC1)c1cccc2ccccc12
Show InChI InChI=1S/C24H27N3O2/c1-29-21-9-4-8-20(18-21)24(28)25-12-13-26-14-16-27(17-15-26)23-11-5-7-19-6-2-3-10-22(19)23/h2-11,18H,12-17H2,1H3,(H,25,28)
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0.600n/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)


BindingDB Entry DOI: 10.7270/Q2TT4RQC
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Rattus norvegicus (Rat))
BDBM50122048
PNG
(1H-Indole-2-carboxylic acid {4-[4-(2,3-dichloro-ph...)
Show SMILES Clc1cccc(N2CCN(CCCCNC(=O)c3cc4ccccc4[nH]3)CC2)c1Cl
Show InChI InChI=1S/C23H26Cl2N4O/c24-18-7-5-9-21(22(18)25)29-14-12-28(13-15-29)11-4-3-10-26-23(30)20-16-17-6-1-2-8-19(17)27-20/h1-2,5-9,16,27H,3-4,10-15H2,(H,26,30)
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0.620n/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)


BindingDB Entry DOI: 10.7270/Q2TT4RQC
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50068369
PNG
(3-Methoxy-N-[2-(4-pyridin-2-yl-piperazin-1-yl)-eth...)
Show SMILES COc1cccc(c1)C(=O)NCCN1CCN(CC1)c1ccccn1
Show InChI InChI=1S/C19H24N4O2/c1-25-17-6-4-5-16(15-17)19(24)21-9-10-22-11-13-23(14-12-22)18-7-2-3-8-20-18/h2-8,15H,9-14H2,1H3,(H,21,24)
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0.630n/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)


BindingDB Entry DOI: 10.7270/Q2TT4RQC
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Rattus norvegicus (Rat))
BDBM50122035
PNG
(CHEMBL152304 | Quinoline-4-carboxylic acid {4-[4-(...)
Show SMILES Clc1cccc(N2CCN(CCCCNC(=O)c3ccnc4ccccc34)CC2)c1Cl
Show InChI InChI=1S/C24H26Cl2N4O/c25-20-7-5-9-22(23(20)26)30-16-14-29(15-17-30)13-4-3-11-28-24(31)19-10-12-27-21-8-2-1-6-18(19)21/h1-2,5-10,12H,3-4,11,13-17H2,(H,28,31)
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0.720n/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)


BindingDB Entry DOI: 10.7270/Q2TT4RQC
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM21398
PNG
(4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...)
Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2
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0.740n/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)


BindingDB Entry DOI: 10.7270/Q2TT4RQC
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Rattus norvegicus (Rat))
BDBM50122049
PNG
(1H-Indole-3-carboxylic acid {4-[4-(2,3-dichloro-ph...)
Show SMILES Clc1cccc(N2CCN(CCCCNC(=O)c3c[nH]c4ccccc34)CC2)c1Cl
Show InChI InChI=1S/C23H26Cl2N4O/c24-19-7-5-9-21(22(19)25)29-14-12-28(13-15-29)11-4-3-10-26-23(30)18-16-27-20-8-2-1-6-17(18)20/h1-2,5-9,16,27H,3-4,10-15H2,(H,26,30)
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0.940n/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)


BindingDB Entry DOI: 10.7270/Q2TT4RQC
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50068362
PNG
(3-Methoxy-N-{2-[4-(2-methoxy-phenyl)-piperazin-1-y...)
Show SMILES COc1cccc(c1)C(=O)NCCN1CCN(CC1)c1ccccc1OC
Show InChI InChI=1S/C21H27N3O3/c1-26-18-7-5-6-17(16-18)21(25)22-10-11-23-12-14-24(15-13-23)19-8-3-4-9-20(19)27-2/h3-9,16H,10-15H2,1-2H3,(H,22,25)
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1.10n/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)


BindingDB Entry DOI: 10.7270/Q2TT4RQC
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Rattus norvegicus (Rat))
BDBM50122056
PNG
(Biphenyl-4-carboxylic acid {4-[4-(2,3-dichloro-phe...)
Show SMILES Clc1cccc(N2CCN(CCCCNC(=O)c3ccc(cc3)-c3ccccc3)CC2)c1Cl
Show InChI InChI=1S/C27H29Cl2N3O/c28-24-9-6-10-25(26(24)29)32-19-17-31(18-20-32)16-5-4-15-30-27(33)23-13-11-22(12-14-23)21-7-2-1-3-8-21/h1-3,6-14H,4-5,15-20H2,(H,30,33)
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1.15n/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)


BindingDB Entry DOI: 10.7270/Q2TT4RQC
More data for this
Ligand-Target Pair
D(3) 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)


BindingDB Entry DOI: 10.7270/Q2TT4RQC
More data for this
Ligand-Target Pair
D(4) 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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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)


BindingDB Entry DOI: 10.7270/Q2TT4RQC
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM21393
PNG
(7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-o...)
Show SMILES CCCN(CCC)C1CCc2cccc(O)c2C1
Show InChI InChI=1S/C16H25NO/c1-3-10-17(11-4-2)14-9-8-13-6-5-7-16(18)15(13)12-14/h5-7,14,18H,3-4,8-12H2,1-2H3
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2.10n/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)


BindingDB Entry DOI: 10.7270/Q2TT4RQC
More data for this
Ligand-Target Pair
D(4) 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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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)


BindingDB Entry DOI: 10.7270/Q2TT4RQC
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Rattus norvegicus (Rat))
BDBM50122040
PNG
(CHEMBL152576 | N-{3-[4-(2,3-Dichloro-phenyl)-piper...)
Show SMILES COc1cccc(c1)C(=O)NCCCN1CCN(CC1)c1cccc(Cl)c1Cl
Show InChI InChI=1S/C21H25Cl2N3O2/c1-28-17-6-2-5-16(15-17)21(27)24-9-4-10-25-11-13-26(14-12-25)19-8-3-7-18(22)20(19)23/h2-3,5-8,15H,4,9-14H2,1H3,(H,24,27)
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2.30n/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)


BindingDB Entry DOI: 10.7270/Q2TT4RQC
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50122046
PNG
(3-Methoxy-N-[4-(4-naphthalen-1-yl-piperazin-1-yl)-...)
Show SMILES COc1cccc(c1)C(=O)NCCCCN1CCN(CC1)c1cccc2ccccc12
Show InChI InChI=1S/C26H31N3O2/c1-31-23-11-6-10-22(20-23)26(30)27-14-4-5-15-28-16-18-29(19-17-28)25-13-7-9-21-8-2-3-12-24(21)25/h2-3,6-13,20H,4-5,14-19H2,1H3,(H,27,30)
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2.30n/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)


BindingDB Entry DOI: 10.7270/Q2TT4RQC
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Rattus norvegicus (Rat))
BDBM50122033
PNG
(CHEMBL347290 | N-{5-[4-(2,3-Dichloro-phenyl)-piper...)
Show SMILES COc1cccc(c1)C(=O)NCCCCCN1CCN(CC1)c1cccc(Cl)c1Cl
Show InChI InChI=1S/C23H29Cl2N3O2/c1-30-19-8-5-7-18(17-19)23(29)26-11-3-2-4-12-27-13-15-28(16-14-27)21-10-6-9-20(24)22(21)25/h5-10,17H,2-4,11-16H2,1H3,(H,26,29)
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3n/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)


BindingDB Entry DOI: 10.7270/Q2TT4RQC
More data for this
Ligand-Target Pair
D(4) 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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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)


BindingDB Entry DOI: 10.7270/Q2TT4RQC
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50122044
PNG
(CHEMBL345111 | N-{2-[4-(5-Chloro-pyridin-2-yl)-pip...)
Show SMILES COc1cccc(c1)C(=O)NCCN1CCN(CC1)c1ccc(Cl)cn1
Show InChI InChI=1S/C19H23ClN4O2/c1-26-17-4-2-3-15(13-17)19(25)21-7-8-23-9-11-24(12-10-23)18-6-5-16(20)14-22-18/h2-6,13-14H,7-12H2,1H3,(H,21,25)
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3.95n/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)


BindingDB Entry DOI: 10.7270/Q2TT4RQC
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(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)


BindingDB Entry DOI: 10.7270/Q2TT4RQC
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Rattus norvegicus (Rat))
BDBM50122031
PNG
(4-Bromo-1-methoxy-naphthalene-2-carboxylic acid {4...)
Show SMILES COc1c(cc(Br)c2ccccc12)C(=O)NCCCCN1CCN(CC1)c1cccc(Cl)c1Cl
Show InChI InChI=1S/C26H28BrCl2N3O2/c1-34-25-19-8-3-2-7-18(19)21(27)17-20(25)26(33)30-11-4-5-12-31-13-15-32(16-14-31)23-10-6-9-22(28)24(23)29/h2-3,6-10,17H,4-5,11-16H2,1H3,(H,30,33)
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4.97n/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)


BindingDB Entry DOI: 10.7270/Q2TT4RQC
More data for this
Ligand-Target Pair
D(3) 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)


BindingDB Entry DOI: 10.7270/Q2TT4RQC
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50084486
PNG
(CHEMBL92713 | N-{3-[4-(4-Chloro-phenyl)-piperazin-...)
Show SMILES COc1cccc(c1)C(=O)NCCCN1CCN(CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H26ClN3O2/c1-27-20-5-2-4-17(16-20)21(26)23-10-3-11-24-12-14-25(15-13-24)19-8-6-18(22)7-9-19/h2,4-9,16H,3,10-15H2,1H3,(H,23,26)
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5.40n/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)


BindingDB Entry DOI: 10.7270/Q2TT4RQC
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50122040
PNG
(CHEMBL152576 | N-{3-[4-(2,3-Dichloro-phenyl)-piper...)
Show SMILES COc1cccc(c1)C(=O)NCCCN1CCN(CC1)c1cccc(Cl)c1Cl
Show InChI InChI=1S/C21H25Cl2N3O2/c1-28-17-6-2-5-16(15-17)21(27)24-9-4-10-25-11-13-26(14-12-25)19-8-3-7-18(22)20(19)23/h2-3,5-8,15H,4,9-14H2,1H3,(H,24,27)
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7.30n/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)


BindingDB Entry DOI: 10.7270/Q2TT4RQC
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(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)


BindingDB Entry DOI: 10.7270/Q2TT4RQC
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50122043
PNG
(CHEMBL423040 | N-[4-(4-Benzo[d]isoxazol-3-yl-piper...)
Show SMILES COc1cccc(c1)C(=O)NCCCCN1CCN(CC1)c1noc2ccccc12
Show InChI InChI=1S/C23H28N4O3/c1-29-19-8-6-7-18(17-19)23(28)24-11-4-5-12-26-13-15-27(16-14-26)22-20-9-2-3-10-21(20)30-25-22/h2-3,6-10,17H,4-5,11-16H2,1H3,(H,24,28)
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7.58n/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)


BindingDB Entry DOI: 10.7270/Q2TT4RQC
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50122039
PNG
(CHEMBL152391 | N-{4-[4-(2,3-Dichloro-phenyl)-piper...)
Show SMILES COc1cccc(c1)C(=O)NCCCCN1CCN(CC1)c1cccc(Cl)c1Cl
Show InChI InChI=1S/C22H27Cl2N3O2/c1-29-18-7-4-6-17(16-18)22(28)25-10-2-3-11-26-12-14-27(15-13-26)20-9-5-8-19(23)21(20)24/h4-9,16H,2-3,10-15H2,1H3,(H,25,28)
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9n/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)


BindingDB Entry DOI: 10.7270/Q2TT4RQC
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Rattus norvegicus (Rat))
BDBM50122053
PNG
(CHEMBL152587 | N-[4-(4-Isoquinolin-1-yl-piperazin-...)
Show SMILES COc1cccc(c1)C(=O)NCCCCN1CCN(CC1)c1nccc2ccccc12
Show InChI InChI=1S/C25H30N4O2/c1-31-22-9-6-8-21(19-22)25(30)27-12-4-5-14-28-15-17-29(18-16-28)24-23-10-3-2-7-20(23)11-13-26-24/h2-3,6-11,13,19H,4-5,12,14-18H2,1H3,(H,27,30)
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9.5n/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)


BindingDB Entry DOI: 10.7270/Q2TT4RQC
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50122030
PNG
(CHEMBL154050 | N-{2-[4-(4-Fluoro-phenyl)-piperazin...)
Show SMILES COc1cccc(c1)C(=O)NCCN1CCN(CC1)c1ccc(F)cc1
Show InChI InChI=1S/C20H24FN3O2/c1-26-19-4-2-3-16(15-19)20(25)22-9-10-23-11-13-24(14-12-23)18-7-5-17(21)6-8-18/h2-8,15H,9-14H2,1H3,(H,22,25)
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11n/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)


BindingDB Entry DOI: 10.7270/Q2TT4RQC
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50122053
PNG
(CHEMBL152587 | N-[4-(4-Isoquinolin-1-yl-piperazin-...)
Show SMILES COc1cccc(c1)C(=O)NCCCCN1CCN(CC1)c1nccc2ccccc12
Show InChI InChI=1S/C25H30N4O2/c1-31-22-9-6-8-21(19-22)25(30)27-12-4-5-14-28-15-17-29(18-16-28)24-23-10-3-2-7-20(23)11-13-26-24/h2-3,6-11,13,19H,4-5,12,14-18H2,1H3,(H,27,30)
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12.7n/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)


BindingDB Entry DOI: 10.7270/Q2TT4RQC
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(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)


BindingDB Entry DOI: 10.7270/Q2TT4RQC
More data for this
Ligand-Target Pair
D(4) 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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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)


BindingDB Entry DOI: 10.7270/Q2TT4RQC
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50084494
PNG
(CHEMBL315879 | N-{4-[4-(4-Chloro-phenyl)-piperazin...)
Show SMILES COc1cccc(c1)C(=O)NCCCCN1CCN(CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C22H28ClN3O2/c1-28-21-6-4-5-18(17-21)22(27)24-11-2-3-12-25-13-15-26(16-14-25)20-9-7-19(23)8-10-20/h4-10,17H,2-3,11-16H2,1H3,(H,24,27)
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25n/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)


BindingDB Entry DOI: 10.7270/Q2TT4RQC
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50122026
PNG
(CHEMBL157322 | N-{2-[4-(2-Chloro-phenyl)-piperazin...)
Show SMILES COc1cccc(c1)C(=O)NCCN1CCN(CC1)c1ccccc1Cl
Show InChI InChI=1S/C20H24ClN3O2/c1-26-17-6-4-5-16(15-17)20(25)22-9-10-23-11-13-24(14-12-23)19-8-3-2-7-18(19)21/h2-8,15H,9-14H2,1H3,(H,22,25)
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27n/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)


BindingDB Entry DOI: 10.7270/Q2TT4RQC
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50068369
PNG
(3-Methoxy-N-[2-(4-pyridin-2-yl-piperazin-1-yl)-eth...)
Show SMILES COc1cccc(c1)C(=O)NCCN1CCN(CC1)c1ccccn1
Show InChI InChI=1S/C19H24N4O2/c1-25-17-6-4-5-16(15-17)19(24)21-9-10-22-11-13-23(14-12-22)18-7-2-3-8-20-18/h2-8,15H,9-14H2,1H3,(H,21,24)
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27n/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)


BindingDB Entry DOI: 10.7270/Q2TT4RQC
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Rattus norvegicus (Rat))
BDBM21398
PNG
(4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...)
Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2
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28n/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)


BindingDB Entry DOI: 10.7270/Q2TT4RQC
More data for this
Ligand-Target Pair
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