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Compile Data Set for Download or QSAR

Found 47 hits Enz. Inhib. hit(s) with all data for entry = 50007834   
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))
BDBM85093
PNG
(CAS_3853 | CHEMBL267014 | CHEMBL555670 | L 745,870...)
Show SMILES Clc1ccc(cc1)N1CCN(Cc2c[nH]c3ncccc23)CC1
Show InChI InChI=1S/C18H19ClN4/c19-15-3-5-16(6-4-15)23-10-8-22(9-11-23)13-14-12-21-18-17(14)2-1-7-20-18/h1-7,12H,8-11,13H2,(H,20,21)
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PubMed
0.430n/an/an/an/an/an/an/an/a



Universitá di Bari

Curated by ChEMBL


Assay Description
In vitro binding affinity was measured at the cloned human Dopamine receptor D4.2 using [3H]-YM-09151-2 as radioligand.


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(4) dopamine receptor


(Homo sapiens (Human))
BDBM50048233
PNG
(1-(2-Methoxy-phenyl)-4-(1-phenyl-1H-pyrrol-3-ylmet...)
Show SMILES COc1ccccc1N1CCN(Cc2ccn(c2)-c2ccccc2)CC1
Show InChI InChI=1S/C22H25N3O/c1-26-22-10-6-5-9-21(22)24-15-13-23(14-16-24)17-19-11-12-25(18-19)20-7-3-2-4-8-20/h2-12,18H,13-17H2,1H3
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0.700n/an/an/an/an/an/an/an/a



Universitá di Bari

Curated by ChEMBL


Assay Description
In vitro binding affinity was measured at the cloned human Dopamine receptor D4.2 using [3H]-YM-09151-2 as radioligand.


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))
BDBM50048233
PNG
(1-(2-Methoxy-phenyl)-4-(1-phenyl-1H-pyrrol-3-ylmet...)
Show SMILES COc1ccccc1N1CCN(Cc2ccn(c2)-c2ccccc2)CC1
Show InChI InChI=1S/C22H25N3O/c1-26-22-10-6-5-9-21(22)24-15-13-23(14-16-24)17-19-11-12-25(18-19)20-7-3-2-4-8-20/h2-12,18H,13-17H2,1H3
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1.30n/an/an/an/an/an/an/an/a



Universitá di Bari

Curated by ChEMBL


Assay Description
In vitro binding affinity was measured at the cloned human Dopamine receptor D2 using [3H]-spiroperidol as radioligand.


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(4) dopamine receptor


(Homo sapiens (Human))
BDBM50068365
PNG
((2H-Benzo[1,4]oxazin-3-yl)-{2-[4-(2-methoxy-phenyl...)
Show SMILES COc1ccccc1N1CCN(CCNC2=Nc3ccccc3OC2)CC1 |t:16|
Show InChI InChI=1S/C21H26N4O2/c1-26-20-9-5-3-7-18(20)25-14-12-24(13-15-25)11-10-22-21-16-27-19-8-4-2-6-17(19)23-21/h2-9H,10-16H2,1H3,(H,22,23)
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3n/an/an/an/an/an/an/an/a



Universitá di Bari

Curated by ChEMBL


Assay Description
In vitro binding affinity was measured at the cloned human Dopamine receptor D4.2 using [3H]-YM-09151-2 as radioligand.


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(4) dopamine receptor


(Homo sapiens (Human))
BDBM50068367
PNG
(CHEMBL283353 | N-{2-[4-(4-Chloro-phenyl)-piperazin...)
Show SMILES CCC(C)(C)C(=O)NCCN1CCN(CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C18H28ClN3O/c1-4-18(2,3)17(23)20-9-10-21-11-13-22(14-12-21)16-7-5-15(19)6-8-16/h5-8H,4,9-14H2,1-3H3,(H,20,23)
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8n/an/an/an/an/an/an/an/a



Universitá di Bari

Curated by ChEMBL


Assay Description
In vitro binding affinity was measured at the cloned human Dopamine receptor D4.2 using [3H]-YM-09151-2 as radioligand.


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))
BDBM50068365
PNG
((2H-Benzo[1,4]oxazin-3-yl)-{2-[4-(2-methoxy-phenyl...)
Show SMILES COc1ccccc1N1CCN(CCNC2=Nc3ccccc3OC2)CC1 |t:16|
Show InChI InChI=1S/C21H26N4O2/c1-26-20-9-5-3-7-18(20)25-14-12-24(13-15-25)11-10-22-21-16-27-19-8-4-2-6-17(19)23-21/h2-9H,10-16H2,1H3,(H,22,23)
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280n/an/an/an/an/an/an/an/a



Universitá di Bari

Curated by ChEMBL


Assay Description
In vitro binding affinity was measured at the cloned human Dopamine receptor D2 using [3H]-spiroperidol as radioligand.


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))
BDBM85093
PNG
(CAS_3853 | CHEMBL267014 | CHEMBL555670 | L 745,870...)
Show SMILES Clc1ccc(cc1)N1CCN(Cc2c[nH]c3ncccc23)CC1
Show InChI InChI=1S/C18H19ClN4/c19-15-3-5-16(6-4-15)23-10-8-22(9-11-23)13-14-12-21-18-17(14)2-1-7-20-18/h1-7,12H,8-11,13H2,(H,20,21)
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920n/an/an/an/an/an/an/an/a



Universitá di Bari

Curated by ChEMBL


Assay Description
In vitro binding affinity was measured at the cloned human Dopamine receptor D2 using [3H]-spiroperidol as radioligand.


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))
BDBM50068367
PNG
(CHEMBL283353 | N-{2-[4-(4-Chloro-phenyl)-piperazin...)
Show SMILES CCC(C)(C)C(=O)NCCN1CCN(CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C18H28ClN3O/c1-4-18(2,3)17(23)20-9-10-21-11-13-22(14-12-21)16-7-5-15(19)6-8-16/h5-8H,4,9-14H2,1-3H3,(H,20,23)
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2.52E+3n/an/an/an/an/an/an/an/a



Universitá di Bari

Curated by ChEMBL


Assay Description
In vitro binding affinity was measured at the cloned human Dopamine receptor D2 using [3H]-spiroperidol as radioligand.


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(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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n/an/a 0.0570n/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
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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n/an/a 0.0900n/an/an/an/an/an/a



Universitá di Bari

Curated by ChEMBL


Assay Description
Binding affinity was measured at the serotonin 5-hydroxytryptamine 1A receptor using [3H]-8-OH-DPAT as radioligand in rat hippocampal membrane.


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(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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n/an/a 1n/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
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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n/an/a 1n/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
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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n/an/a 1.30n/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
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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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
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50068364
PNG
(1-(3-Methoxy-phenyl)-4-[4-(2-methoxy-phenyl)-piper...)
Show SMILES COc1cccc(c1)C(=O)CCCN1CCN(CC1)c1ccccc1OC
Show InChI InChI=1S/C22H28N2O3/c1-26-19-8-5-7-18(17-19)21(25)10-6-12-23-13-15-24(16-14-23)20-9-3-4-11-22(20)27-2/h3-5,7-9,11,17H,6,10,12-16H2,1-2H3
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n/an/a 3.10n/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
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50068361
PNG
(2-Methoxy-N-{2-[4-(2-methoxy-phenyl)-piperazin-1-y...)
Show SMILES COc1ccccc1N1CCN(CCNC(=O)c2ccccc2OC)CC1
Show InChI InChI=1S/C21H27N3O3/c1-26-19-9-5-3-7-17(19)21(25)22-11-12-23-13-15-24(16-14-23)18-8-4-6-10-20(18)27-2/h3-10H,11-16H2,1-2H3,(H,22,25)
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n/an/a 4n/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
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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n/an/a 4.10n/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(4) 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 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
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50068364
PNG
(1-(3-Methoxy-phenyl)-4-[4-(2-methoxy-phenyl)-piper...)
Show SMILES COc1cccc(c1)C(=O)CCCN1CCN(CC1)c1ccccc1OC
Show InChI InChI=1S/C22H28N2O3/c1-26-19-8-5-7-18(17-19)21(25)10-6-12-23-13-15-24(16-14-23)20-9-3-4-11-22(20)27-2/h3-5,7-9,11,17H,6,10,12-16H2,1-2H3
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n/an/a 13n/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))
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
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50001884
PNG
(2-[4-(4-Methyl-benzyl)-piperazin-1-yl]-1-(2-methyl...)
Show SMILES CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2ccccc12 |t:8|
Show InChI InChI=1S/C18H19ClN4/c1-22-8-10-23(11-9-22)18-14-4-2-3-5-15(14)20-16-7-6-13(19)12-17(16)21-18/h2-7,12,20H,8-11H2,1H3
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n/an/a 23n/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
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50068363
PNG
(3-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-N-(7-metho...)
Show SMILES Cl.Cl.COc1ccc2CCC(Cc2c1)NC(=O)CCN1CCN(CC1)c1ccccc1OC
Show InChI InChI=1S/C25H33N3O3.2ClH/c1-30-22-10-8-19-7-9-21(17-20(19)18-22)26-25(29)11-12-27-13-15-28(16-14-27)23-5-3-4-6-24(23)31-2;;/h3-6,8,10,18,21H,7,9,11-17H2,1-2H3,(H,26,29);2*1H
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n/an/a 30n/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
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50068363
PNG
(3-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-N-(7-metho...)
Show SMILES Cl.Cl.COc1ccc2CCC(Cc2c1)NC(=O)CCN1CCN(CC1)c1ccccc1OC
Show InChI InChI=1S/C25H33N3O3.2ClH/c1-30-22-10-8-19-7-9-21(17-20(19)18-22)26-25(29)11-12-27-13-15-28(16-14-27)23-5-3-4-6-24(23)31-2;;/h3-6,8,10,18,21H,7,9,11-17H2,1-2H3,(H,26,29);2*1H
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n/an/a 30n/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(4) dopamine receptor


(Homo sapiens (Human))
BDBM50068373
PNG
(3-Methoxy-N-{2-[4-(2-methoxy-benzyl)-piperazin-1-y...)
Show SMILES O.Cl.Cl.COc1cccc(c1)C(=O)NCCN1CCN(Cc2ccccc2OC)CC1
Show InChI InChI=1S/C22H29N3O3.2ClH.H2O/c1-27-20-8-5-7-18(16-20)22(26)23-10-11-24-12-14-25(15-13-24)17-19-6-3-4-9-21(19)28-2;;;/h3-9,16H,10-15,17H2,1-2H3,(H,23,26);2*1H;1H2
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n/an/a 30n/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
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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n/an/a 30n/an/an/an/an/an/a



Universitá di Bari

Curated by ChEMBL


Assay Description
Binding affinity was measured at the serotonin 5-hydroxytryptamine 1A receptor using [3H]-8-OH-DPAT as radioligand in rat hippocampal membrane.


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(4) 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 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
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50068368
PNG
(CHEMBL2373207 | N-{2-[4-(4-Chloro-benzyl)-piperazi...)
Show SMILES O.Cl.Cl.COc1cccc(c1)C(=O)NCCN1CCN(Cc2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C21H26ClN3O2.2ClH.H2O/c1-27-20-4-2-3-18(15-20)21(26)23-9-10-24-11-13-25(14-12-24)16-17-5-7-19(22)8-6-17;;;/h2-8,15H,9-14,16H2,1H3,(H,23,26);2*1H;1H2
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n/an/a 70n/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
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50068371
PNG
(3-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-N-(5-metho...)
Show SMILES COc1cccc2CC(CCc12)NC(=O)CCN1CCN(CC1)c1ccccc1OC
Show InChI InChI=1S/C25H33N3O3/c1-30-23-9-5-6-19-18-20(10-11-21(19)23)26-25(29)12-13-27-14-16-28(17-15-27)22-7-3-4-8-24(22)31-2/h3-9,20H,10-18H2,1-2H3,(H,26,29)
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n/an/a 120n/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
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50033858
PNG
(1-(2-Methoxy-phenyl)-4-[3-(7-methoxy-1,2,3,4-tetra...)
Show SMILES COc1ccc2CCCC(CCCN3CCN(CC3)c3ccccc3OC)c2c1
Show InChI InChI=1S/C25H34N2O2/c1-28-22-13-12-21-8-5-7-20(23(21)19-22)9-6-14-26-15-17-27(18-16-26)24-10-3-4-11-25(24)29-2/h3-4,10-13,19-20H,5-9,14-18H2,1-2H3
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n/an/a 150n/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
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
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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n/an/a 220n/an/an/an/an/an/a



Universitá di Bari

Curated by ChEMBL


Assay Description
Binding affinity was measured at the serotonin 5-hydroxytryptamine 1A receptor using [3H]-8-OH-DPAT as radioligand in rat hippocampal membrane.


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))
BDBM50001884
PNG
(2-[4-(4-Methyl-benzyl)-piperazin-1-yl]-1-(2-methyl...)
Show SMILES CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2ccccc12 |t:8|
Show InChI InChI=1S/C18H19ClN4/c1-22-8-10-23(11-9-22)18-14-4-2-3-5-15(14)20-16-7-6-13(19)12-17(16)21-18/h2-7,12,20H,8-11H2,1H3
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n/an/a 230n/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))
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(4) dopamine receptor


(Homo sapiens (Human))
BDBM50033858
PNG
(1-(2-Methoxy-phenyl)-4-[3-(7-methoxy-1,2,3,4-tetra...)
Show SMILES COc1ccc2CCCC(CCCN3CCN(CC3)c3ccccc3OC)c2c1
Show InChI InChI=1S/C25H34N2O2/c1-28-22-13-12-21-8-5-7-20(23(21)19-22)9-6-14-26-15-17-27(18-16-26)24-10-3-4-11-25(24)29-2/h3-4,10-13,19-20H,5-9,14-18H2,1-2H3
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n/an/a 280n/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
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50068372
PNG
(2-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-N-(7-metho...)
Show SMILES Cl.Cl.COc1ccc2CCC(Cc2c1)NC(=O)CN1CCN(CC1)c1ccccc1OC
Show InChI InChI=1S/C24H31N3O3.2ClH/c1-29-21-10-8-18-7-9-20(15-19(18)16-21)25-24(28)17-26-11-13-27(14-12-26)22-5-3-4-6-23(22)30-2;;/h3-6,8,10,16,20H,7,9,11-15,17H2,1-2H3,(H,25,28);2*1H
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n/an/a 470n/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
D(2) 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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n/an/a 700n/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(4) dopamine receptor


(Homo sapiens (Human))
BDBM50068370
PNG
(1-(2-Methoxy-phenyl)-4-[4-(3-methoxy-phenyl)-thiaz...)
Show SMILES O.Cl.Cl.Cl.COc1cccc(c1)-c1csc(CN2CCN(CC2)c2ccccc2OC)n1
Show InChI InChI=1S/C22H25N3O2S.3ClH.H2O/c1-26-18-7-5-6-17(14-18)19-16-28-22(23-19)15-24-10-12-25(13-11-24)20-8-3-4-9-21(20)27-2;;;;/h3-9,14,16H,10-13,15H2,1-2H3;3*1H;1H2
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n/an/a 740n/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
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50068371
PNG
(3-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-N-(5-metho...)
Show SMILES COc1cccc2CC(CCc12)NC(=O)CCN1CCN(CC1)c1ccccc1OC
Show InChI InChI=1S/C25H33N3O3/c1-30-23-9-5-6-19-18-20(10-11-21(19)23)26-25(29)12-13-27-14-16-28(17-15-27)22-7-3-4-8-24(22)31-2/h3-9,20H,10-18H2,1-2H3,(H,26,29)
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n/an/a 761n/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))
BDBM50068361
PNG
(2-Methoxy-N-{2-[4-(2-methoxy-phenyl)-piperazin-1-y...)
Show SMILES COc1ccccc1N1CCN(CCNC(=O)c2ccccc2OC)CC1
Show InChI InChI=1S/C21H27N3O3/c1-26-19-9-5-3-7-17(19)21(25)22-11-12-23-13-15-24(16-14-23)18-8-4-6-10-20(18)27-2/h3-10H,11-16H2,1-2H3,(H,22,25)
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n/an/a 810n/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(4) dopamine receptor


(Homo sapiens (Human))
BDBM50068376
PNG
(2-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-N-(5-metho...)
Show SMILES Cl.Cl.COc1cccc2CC(CCc12)NC(=O)CN1CCN(CC1)c1ccccc1OC
Show InChI InChI=1S/C24H31N3O3.2ClH/c1-29-22-9-5-6-18-16-19(10-11-20(18)22)25-24(28)17-26-12-14-27(15-13-26)21-7-3-4-8-23(21)30-2;;/h3-9,19H,10-17H2,1-2H3,(H,25,28);2*1H
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n/an/a 850n/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
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50068375
PNG
(1-(2-Methoxy-phenyl)-4-{2-[4-(3-methoxy-phenyl)-th...)
Show SMILES Cl.COc1cccc(c1)-c1csc(CCN2CCN(CC2)c2ccccc2OC)n1
Show InChI InChI=1S/C23H27N3O2S.ClH/c1-27-19-7-5-6-18(16-19)20-17-29-23(24-20)10-11-25-12-14-26(15-13-25)21-8-3-4-9-22(21)28-2;/h3-9,16-17H,10-15H2,1-2H3;1H
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n/an/a 870n/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
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50068375
PNG
(1-(2-Methoxy-phenyl)-4-{2-[4-(3-methoxy-phenyl)-th...)
Show SMILES Cl.COc1cccc(c1)-c1csc(CCN2CCN(CC2)c2ccccc2OC)n1
Show InChI InChI=1S/C23H27N3O2S.ClH/c1-27-19-7-5-6-18(16-19)20-17-29-23(24-20)10-11-25-12-14-26(15-13-25)21-8-3-4-9-22(21)28-2;/h3-9,16-17H,10-15H2,1-2H3;1H
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n/an/a 870n/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))
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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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
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50068370
PNG
(1-(2-Methoxy-phenyl)-4-[4-(3-methoxy-phenyl)-thiaz...)
Show SMILES O.Cl.Cl.Cl.COc1cccc(c1)-c1csc(CN2CCN(CC2)c2ccccc2OC)n1
Show InChI InChI=1S/C22H25N3O2S.3ClH.H2O/c1-26-18-7-5-6-17(14-18)19-16-28-22(23-19)15-24-10-12-25(13-11-24)20-8-3-4-9-21(20)27-2;;;;/h3-9,14,16H,10-13,15H2,1-2H3;3*1H;1H2
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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
D(2) 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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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
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50068373
PNG
(3-Methoxy-N-{2-[4-(2-methoxy-benzyl)-piperazin-1-y...)
Show SMILES O.Cl.Cl.COc1cccc(c1)C(=O)NCCN1CCN(Cc2ccccc2OC)CC1
Show InChI InChI=1S/C22H29N3O3.2ClH.H2O/c1-27-20-8-5-7-18(16-20)22(26)23-10-11-24-12-14-25(15-13-24)17-19-6-3-4-9-21(19)28-2;;;/h3-9,16H,10-15,17H2,1-2H3,(H,23,26);2*1H;1H2
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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
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
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50068368
PNG
(CHEMBL2373207 | N-{2-[4-(4-Chloro-benzyl)-piperazi...)
Show SMILES O.Cl.Cl.COc1cccc(c1)C(=O)NCCN1CCN(Cc2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C21H26ClN3O2.2ClH.H2O/c1-27-20-4-2-3-18(15-20)21(26)23-9-10-24-11-13-25(14-12-24)16-17-5-7-19(22)8-6-17;;;/h2-8,15H,9-14,16H2,1H3,(H,23,26);2*1H;1H2
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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