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PubMed code 12639562

Compile data set for download or QSAR
Found 41 hits of Enzyme Inhibition Constant Data   
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))
BDBM50092053
PNG
(2-[4-(4-Chloro-benzyl)-piperazin-1-yl]-1-(2,3-dihy...)
Show SMILES Clc1ccc(CN2CCN(CC(=O)N3CCc4ccccc34)CC2)cc1
Show InChI InChI=1S/C21H24ClN3O/c22-19-7-5-17(6-8-19)15-23-11-13-24(14-12-23)16-21(26)25-10-9-18-3-1-2-4-20(18)25/h1-8H,9-16H2
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PubMed
1.60n/an/an/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]-YM 09151 from D4 receptor


Bioorg Med Chem Lett 13: 701-4 (2003)


Article DOI: 10.1016/s0960-894x(02)01056-9
BindingDB Entry DOI: 10.7270/Q2B56J44
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50124931
PNG
(5-[4-(4-Chloro-benzyl)-piperazin-1-yl]-1,2,6,7-tet...)
Show SMILES Clc1ccc(CN2CCN(CC2)C2CCc3cccc4CCN(c34)C2=O)cc1
Show InChI InChI=1/C23H26ClN3O/c24-20-7-4-17(5-8-20)16-25-12-14-26(15-13-25)21-9-6-18-2-1-3-19-10-11-27(22(18)19)23(21)28/h1-5,7-8,21H,6,9-16H2
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3n/an/an/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
D4 receptor functional activity was measured inhibition of quinpirole stimulated [35S]GTP-gamma-S binding from cell membranes.


Bioorg Med Chem Lett 13: 701-4 (2003)


Article DOI: 10.1016/s0960-894x(02)01056-9
BindingDB Entry DOI: 10.7270/Q2B56J44
More data for this
Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50001884
PNG
(2-[4-(4-Methyl-benzyl)-piperazin-1-yl]-1-(2-methyl...)
Show SMILES CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2ccccc12
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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4n/an/an/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from alpha-1 adrenergic receptor of rat brain homogenate


Bioorg Med Chem Lett 13: 701-4 (2003)


Article DOI: 10.1016/s0960-894x(02)01056-9
BindingDB Entry DOI: 10.7270/Q2B56J44
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50092046
PNG
(3-[4-(4-Chloro-benzyl)-piperazin-1-yl]-1-ethyl-3,4...)
Show SMILES CCN1C(=O)C(Cc2ccccc12)N1CCN(Cc2ccc(Cl)cc2)CC1
Show InChI InChI=1/C22H26ClN3O/c1-2-26-20-6-4-3-5-18(20)15-21(22(26)27)25-13-11-24(12-14-25)16-17-7-9-19(23)10-8-17/h3-10,21H,2,11-16H2,1H3
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4n/an/an/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]-YM 09151 from D4 receptor


Bioorg Med Chem Lett 13: 701-4 (2003)


Article DOI: 10.1016/s0960-894x(02)01056-9
BindingDB Entry DOI: 10.7270/Q2B56J44
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50124932
PNG
(5-[4-(4-Methyl-benzyl)-piperazin-1-yl]-1,2,6,7-tet...)
Show SMILES Cc1ccc(CN2CCN(CC2)C2CCc3cccc4CCN(c34)C2=O)cc1
Show InChI InChI=1/C24H29N3O/c1-18-5-7-19(8-6-18)17-25-13-15-26(16-14-25)22-10-9-20-3-2-4-21-11-12-27(23(20)21)24(22)28/h2-8,22H,9-17H2,1H3
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4n/an/an/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]-YM 09151 from D4 receptor


Bioorg Med Chem Lett 13: 701-4 (2003)


Article DOI: 10.1016/s0960-894x(02)01056-9
BindingDB Entry DOI: 10.7270/Q2B56J44
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50124931
PNG
(5-[4-(4-Chloro-benzyl)-piperazin-1-yl]-1,2,6,7-tet...)
Show SMILES Clc1ccc(CN2CCN(CC2)C2CCc3cccc4CCN(c34)C2=O)cc1
Show InChI InChI=1/C23H26ClN3O/c24-20-7-4-17(5-8-20)16-25-12-14-26(15-13-25)21-9-6-18-2-1-3-19-10-11-27(22(18)19)23(21)28/h1-5,7-8,21H,6,9-16H2
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5n/an/an/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]-YM 09151 from D4 receptor


Bioorg Med Chem Lett 13: 701-4 (2003)


Article DOI: 10.1016/s0960-894x(02)01056-9
BindingDB Entry DOI: 10.7270/Q2B56J44
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50124934
PNG
(5-[4-(4-Chloro-benzyl)-piperazin-1-yl]-2-methyl-1,...)
Show SMILES CC1Cc2cccc3CCC(N4CCN(Cc5ccc(Cl)cc5)CC4)C(=O)N1c23
Show InChI InChI=1/C24H28ClN3O/c1-17-15-20-4-2-3-19-7-10-22(24(29)28(17)23(19)20)27-13-11-26(12-14-27)16-18-5-8-21(25)9-6-18/h2-6,8-9,17,22H,7,10-16H2,1H3
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9n/an/an/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]-YM 09151 from D4 receptor


Bioorg Med Chem Lett 13: 701-4 (2003)


Article DOI: 10.1016/s0960-894x(02)01056-9
BindingDB Entry DOI: 10.7270/Q2B56J44
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50124935
PNG
(2-Methyl-5-[4-(4-methyl-benzyl)-piperazin-1-yl]-1,...)
Show SMILES CC1Cc2cccc3CCC(N4CCN(Cc5ccc(C)cc5)CC4)C(=O)N1c23
Show InChI InChI=1/C25H31N3O/c1-18-6-8-20(9-7-18)17-26-12-14-27(15-13-26)23-11-10-21-4-3-5-22-16-19(2)28(24(21)22)25(23)29/h3-9,19,23H,10-17H2,1-2H3
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10n/an/an/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]-YM 09151 from D4 receptor


Bioorg Med Chem Lett 13: 701-4 (2003)


Article DOI: 10.1016/s0960-894x(02)01056-9
BindingDB Entry DOI: 10.7270/Q2B56J44
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50124936
PNG
(2,2-Dimethyl-5-[4-(4-methyl-benzyl)-piperazin-1-yl...)
Show SMILES Cc1ccc(CN2CCN(CC2)C2CCc3cccc4CC(C)(C)N(c34)C2=O)cc1
Show InChI InChI=1/C26H33N3O/c1-19-7-9-20(10-8-19)18-27-13-15-28(16-14-27)23-12-11-21-5-4-6-22-17-26(2,3)29(24(21)22)25(23)30/h4-10,23H,11-18H2,1-3H3
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12n/an/an/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]-YM 09151 from D4 receptor


Bioorg Med Chem Lett 13: 701-4 (2003)


Article DOI: 10.1016/s0960-894x(02)01056-9
BindingDB Entry DOI: 10.7270/Q2B56J44
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
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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17n/an/an/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]-YM 09151 from D4 receptor


Bioorg Med Chem Lett 13: 701-4 (2003)


Article DOI: 10.1016/s0960-894x(02)01056-9
BindingDB Entry DOI: 10.7270/Q2B56J44
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50124937
PNG
(5-[4-(4-Chloro-benzyl)-piperazin-1-yl]-2,2-dimethy...)
Show SMILES CC1(C)Cc2cccc3CCC(N4CCN(Cc5ccc(Cl)cc5)CC4)C(=O)N1c23
Show InChI InChI=1/C25H30ClN3O/c1-25(2)16-20-5-3-4-19-8-11-22(24(30)29(25)23(19)20)28-14-12-27(13-15-28)17-18-6-9-21(26)10-7-18/h3-7,9-10,22H,8,11-17H2,1-2H3
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19n/an/an/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]-YM 09151 from D4 receptor


Bioorg Med Chem Lett 13: 701-4 (2003)


Article DOI: 10.1016/s0960-894x(02)01056-9
BindingDB Entry DOI: 10.7270/Q2B56J44
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50092046
PNG
(3-[4-(4-Chloro-benzyl)-piperazin-1-yl]-1-ethyl-3,4...)
Show SMILES CCN1C(=O)C(Cc2ccccc12)N1CCN(Cc2ccc(Cl)cc2)CC1
Show InChI InChI=1/C22H26ClN3O/c1-2-26-20-6-4-3-5-18(20)15-21(22(26)27)25-13-11-24(12-14-25)16-17-7-9-19(23)10-8-17/h3-10,21H,2,11-16H2,1H3
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21n/an/an/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]-YM 09151 from D2 receptor


Bioorg Med Chem Lett 13: 701-4 (2003)


Article DOI: 10.1016/s0960-894x(02)01056-9
BindingDB Entry DOI: 10.7270/Q2B56J44
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50124935
PNG
(2-Methyl-5-[4-(4-methyl-benzyl)-piperazin-1-yl]-1,...)
Show SMILES CC1Cc2cccc3CCC(N4CCN(Cc5ccc(C)cc5)CC4)C(=O)N1c23
Show InChI InChI=1/C25H31N3O/c1-18-6-8-20(9-7-18)17-26-12-14-27(15-13-26)23-11-10-21-4-3-5-22-16-19(2)28(24(21)22)25(23)29/h3-9,19,23H,10-17H2,1-2H3
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26n/an/an/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]-YM 09151 from D2 receptor


Bioorg Med Chem Lett 13: 701-4 (2003)


Article DOI: 10.1016/s0960-894x(02)01056-9
BindingDB Entry DOI: 10.7270/Q2B56J44
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50124938
PNG
(5-[4-(5-Chloro-2-methoxy-benzyl)-piperazin-1-yl]-2...)
Show SMILES COc1ccc(Cl)cc1CN1CCN(CC1)C1CCc2cccc3CC(C)(C)N(c23)C1=O
Show InChI InChI=1/C26H32ClN3O2/c1-26(2)16-19-6-4-5-18-7-9-22(25(31)30(26)24(18)19)29-13-11-28(12-14-29)17-20-15-21(27)8-10-23(20)32-3/h4-6,8,10,15,22H,7,9,11-14,16-17H2,1-3H3
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29n/an/an/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]-YM 09151 from D4 receptor


Bioorg Med Chem Lett 13: 701-4 (2003)


Article DOI: 10.1016/s0960-894x(02)01056-9
BindingDB Entry DOI: 10.7270/Q2B56J44
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50124933
PNG
(5-[4-(2-Methoxy-4-methyl-benzyl)-piperazin-1-yl]-2...)
Show SMILES COc1cc(C)ccc1CN1CCN(CC1)C1CCc2cccc3CC(C)(C)N(c23)C1=O
Show InChI InChI=1/C27H35N3O2/c1-19-8-9-22(24(16-19)32-4)18-28-12-14-29(15-13-28)23-11-10-20-6-5-7-21-17-27(2,3)30(25(20)21)26(23)31/h5-9,16,23H,10-15,17-18H2,1-4H3
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34n/an/an/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]-YM 09151 from D4 receptor


Bioorg Med Chem Lett 13: 701-4 (2003)


Article DOI: 10.1016/s0960-894x(02)01056-9
BindingDB Entry DOI: 10.7270/Q2B56J44
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50124931
PNG
(5-[4-(4-Chloro-benzyl)-piperazin-1-yl]-1,2,6,7-tet...)
Show SMILES Clc1ccc(CN2CCN(CC2)C2CCc3cccc4CCN(c34)C2=O)cc1
Show InChI InChI=1/C23H26ClN3O/c24-20-7-4-17(5-8-20)16-25-12-14-26(15-13-25)21-9-6-18-2-1-3-19-10-11-27(22(18)19)23(21)28/h1-5,7-8,21H,6,9-16H2
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62n/an/an/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
D2 receptor functional activity was measured through reversal of quinpirole inhibited, forskolin stimulated cAMP production from whole cells


Bioorg Med Chem Lett 13: 701-4 (2003)


Article DOI: 10.1016/s0960-894x(02)01056-9
BindingDB Entry DOI: 10.7270/Q2B56J44
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50124939
PNG
(5-[4-(2-Methoxy-5-methyl-benzyl)-piperazin-1-yl]-2...)
Show SMILES COc1ccc(C)cc1CN1CCN(CC1)C1CCc2cccc3CC(C)(C)N(c23)C1=O
Show InChI InChI=1/C27H35N3O2/c1-19-8-11-24(32-4)22(16-19)18-28-12-14-29(15-13-28)23-10-9-20-6-5-7-21-17-27(2,3)30(25(20)21)26(23)31/h5-8,11,16,23H,9-10,12-15,17-18H2,1-4H3
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65n/an/an/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]-YM 09151 from D4 receptor


Bioorg Med Chem Lett 13: 701-4 (2003)


Article DOI: 10.1016/s0960-894x(02)01056-9
BindingDB Entry DOI: 10.7270/Q2B56J44
More data for this
Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50092053
PNG
(2-[4-(4-Chloro-benzyl)-piperazin-1-yl]-1-(2,3-dihy...)
Show SMILES Clc1ccc(CN2CCN(CC(=O)N3CCc4ccccc34)CC2)cc1
Show InChI InChI=1S/C21H24ClN3O/c22-19-7-5-17(6-8-19)15-23-11-13-24(14-12-23)16-21(26)25-10-9-18-3-1-2-4-20(18)25/h1-8H,9-16H2
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88n/an/an/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from alpha-1 adrenergic receptor of rat brain homogenate


Bioorg Med Chem Lett 13: 701-4 (2003)


Article DOI: 10.1016/s0960-894x(02)01056-9
BindingDB Entry DOI: 10.7270/Q2B56J44
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
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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113n/an/an/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]-YM 09151 from D2 receptor


Bioorg Med Chem Lett 13: 701-4 (2003)


Article DOI: 10.1016/s0960-894x(02)01056-9
BindingDB Entry DOI: 10.7270/Q2B56J44
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50124931
PNG
(5-[4-(4-Chloro-benzyl)-piperazin-1-yl]-1,2,6,7-tet...)
Show SMILES Clc1ccc(CN2CCN(CC2)C2CCc3cccc4CCN(c34)C2=O)cc1
Show InChI InChI=1/C23H26ClN3O/c24-20-7-4-17(5-8-20)16-25-12-14-26(15-13-25)21-9-6-18-2-1-3-19-10-11-27(22(18)19)23(21)28/h1-5,7-8,21H,6,9-16H2
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116n/an/an/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]-YM 09151 from D2 receptor


Bioorg Med Chem Lett 13: 701-4 (2003)


Article DOI: 10.1016/s0960-894x(02)01056-9
BindingDB Entry DOI: 10.7270/Q2B56J44
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50124934
PNG
(5-[4-(4-Chloro-benzyl)-piperazin-1-yl]-2-methyl-1,...)
Show SMILES CC1Cc2cccc3CCC(N4CCN(Cc5ccc(Cl)cc5)CC4)C(=O)N1c23
Show InChI InChI=1/C24H28ClN3O/c1-17-15-20-4-2-3-19-7-10-22(24(29)28(17)23(19)20)27-13-11-26(12-14-27)16-18-5-8-21(25)9-6-18/h2-6,8-9,17,22H,7,10-16H2,1H3
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139n/an/an/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]-YM 09151 from D2 receptor


Bioorg Med Chem Lett 13: 701-4 (2003)


Article DOI: 10.1016/s0960-894x(02)01056-9
BindingDB Entry DOI: 10.7270/Q2B56J44
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50124936
PNG
(2,2-Dimethyl-5-[4-(4-methyl-benzyl)-piperazin-1-yl...)
Show SMILES Cc1ccc(CN2CCN(CC2)C2CCc3cccc4CC(C)(C)N(c34)C2=O)cc1
Show InChI InChI=1/C26H33N3O/c1-19-7-9-20(10-8-19)18-27-13-15-28(16-14-27)23-12-11-21-5-4-6-22-17-26(2,3)29(24(21)22)25(23)30/h4-10,23H,11-18H2,1-3H3
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165n/an/an/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]-YM 09151 from D2 receptor


Bioorg Med Chem Lett 13: 701-4 (2003)


Article DOI: 10.1016/s0960-894x(02)01056-9
BindingDB Entry DOI: 10.7270/Q2B56J44
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50124937
PNG
(5-[4-(4-Chloro-benzyl)-piperazin-1-yl]-2,2-dimethy...)
Show SMILES CC1(C)Cc2cccc3CCC(N4CCN(Cc5ccc(Cl)cc5)CC4)C(=O)N1c23
Show InChI InChI=1/C25H30ClN3O/c1-25(2)16-20-5-3-4-19-8-11-22(24(30)29(25)23(19)20)28-14-12-27(13-15-28)17-18-6-9-21(26)10-7-18/h3-7,9-10,22H,8,11-17H2,1-2H3
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201n/an/an/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]-YM 09151 from D2 receptor


Bioorg Med Chem Lett 13: 701-4 (2003)


Article DOI: 10.1016/s0960-894x(02)01056-9
BindingDB Entry DOI: 10.7270/Q2B56J44
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50124932
PNG
(5-[4-(4-Methyl-benzyl)-piperazin-1-yl]-1,2,6,7-tet...)
Show SMILES Cc1ccc(CN2CCN(CC2)C2CCc3cccc4CCN(c34)C2=O)cc1
Show InChI InChI=1/C24H29N3O/c1-18-5-7-19(8-6-18)17-25-13-15-26(16-14-25)22-10-9-20-3-2-4-21-11-12-27(23(20)21)24(22)28/h2-8,22H,9-17H2,1H3
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209n/an/an/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]-YM 09151 from D2 receptor


Bioorg Med Chem Lett 13: 701-4 (2003)


Article DOI: 10.1016/s0960-894x(02)01056-9
BindingDB Entry DOI: 10.7270/Q2B56J44
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50124938
PNG
(5-[4-(5-Chloro-2-methoxy-benzyl)-piperazin-1-yl]-2...)
Show SMILES COc1ccc(Cl)cc1CN1CCN(CC1)C1CCc2cccc3CC(C)(C)N(c23)C1=O
Show InChI InChI=1/C26H32ClN3O2/c1-26(2)16-19-6-4-5-18-7-9-22(25(31)30(26)24(18)19)29-13-11-28(12-14-29)17-20-15-21(27)8-10-23(20)32-3/h4-6,8,10,15,22H,7,9,11-14,16-17H2,1-3H3
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220n/an/an/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]-YM 09151 from D2 receptor


Bioorg Med Chem Lett 13: 701-4 (2003)


Article DOI: 10.1016/s0960-894x(02)01056-9
BindingDB Entry DOI: 10.7270/Q2B56J44
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50124939
PNG
(5-[4-(2-Methoxy-5-methyl-benzyl)-piperazin-1-yl]-2...)
Show SMILES COc1ccc(C)cc1CN1CCN(CC1)C1CCc2cccc3CC(C)(C)N(c23)C1=O
Show InChI InChI=1/C27H35N3O2/c1-19-8-11-24(32-4)22(16-19)18-28-12-14-29(15-13-28)23-10-9-20-6-5-7-21-17-27(2,3)30(25(20)21)26(23)31/h5-8,11,16,23H,9-10,12-15,17-18H2,1-4H3
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313n/an/an/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]-YM 09151 from D2 receptor


Bioorg Med Chem Lett 13: 701-4 (2003)


Article DOI: 10.1016/s0960-894x(02)01056-9
BindingDB Entry DOI: 10.7270/Q2B56J44
More data for this
Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50124936
PNG
(2,2-Dimethyl-5-[4-(4-methyl-benzyl)-piperazin-1-yl...)
Show SMILES Cc1ccc(CN2CCN(CC2)C2CCc3cccc4CC(C)(C)N(c34)C2=O)cc1
Show InChI InChI=1/C26H33N3O/c1-19-7-9-20(10-8-19)18-27-13-15-28(16-14-27)23-12-11-21-5-4-6-22-17-26(2,3)29(24(21)22)25(23)30/h4-10,23H,11-18H2,1-3H3
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490n/an/an/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from alpha-1 adrenergic receptor of rat brain homogenate


Bioorg Med Chem Lett 13: 701-4 (2003)


Article DOI: 10.1016/s0960-894x(02)01056-9
BindingDB Entry DOI: 10.7270/Q2B56J44
More data for this
Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50124933
PNG
(5-[4-(2-Methoxy-4-methyl-benzyl)-piperazin-1-yl]-2...)
Show SMILES COc1cc(C)ccc1CN1CCN(CC1)C1CCc2cccc3CC(C)(C)N(c23)C1=O
Show InChI InChI=1/C27H35N3O2/c1-19-8-9-22(24(16-19)32-4)18-28-12-14-29(15-13-28)23-11-10-20-6-5-7-21-17-27(2,3)30(25(20)21)26(23)31/h5-9,16,23H,10-15,17-18H2,1-4H3
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653n/an/an/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from alpha-1 adrenergic receptor of rat brain homogenate


Bioorg Med Chem Lett 13: 701-4 (2003)


Article DOI: 10.1016/s0960-894x(02)01056-9
BindingDB Entry DOI: 10.7270/Q2B56J44
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50092053
PNG
(2-[4-(4-Chloro-benzyl)-piperazin-1-yl]-1-(2,3-dihy...)
Show SMILES Clc1ccc(CN2CCN(CC(=O)N3CCc4ccccc34)CC2)cc1
Show InChI InChI=1S/C21H24ClN3O/c22-19-7-5-17(6-8-19)15-23-11-13-24(14-12-23)16-21(26)25-10-9-18-3-1-2-4-20(18)25/h1-8H,9-16H2
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690n/an/an/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]-YM 09151 from D2 receptor


Bioorg Med Chem Lett 13: 701-4 (2003)


Article DOI: 10.1016/s0960-894x(02)01056-9
BindingDB Entry DOI: 10.7270/Q2B56J44
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50124933
PNG
(5-[4-(2-Methoxy-4-methyl-benzyl)-piperazin-1-yl]-2...)
Show SMILES COc1cc(C)ccc1CN1CCN(CC1)C1CCc2cccc3CC(C)(C)N(c23)C1=O
Show InChI InChI=1/C27H35N3O2/c1-19-8-9-22(24(16-19)32-4)18-28-12-14-29(15-13-28)23-11-10-20-6-5-7-21-17-27(2,3)30(25(20)21)26(23)31/h5-9,16,23H,10-15,17-18H2,1-4H3
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952n/an/an/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]-YM 09151 from D2 receptor


Bioorg Med Chem Lett 13: 701-4 (2003)


Article DOI: 10.1016/s0960-894x(02)01056-9
BindingDB Entry DOI: 10.7270/Q2B56J44
More data for this
Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50124939
PNG
(5-[4-(2-Methoxy-5-methyl-benzyl)-piperazin-1-yl]-2...)
Show SMILES COc1ccc(C)cc1CN1CCN(CC1)C1CCc2cccc3CC(C)(C)N(c23)C1=O
Show InChI InChI=1/C27H35N3O2/c1-19-8-11-24(32-4)22(16-19)18-28-12-14-29(15-13-28)23-10-9-20-6-5-7-21-17-27(2,3)30(25(20)21)26(23)31/h5-8,11,16,23H,9-10,12-15,17-18H2,1-4H3
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983n/an/an/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from alpha-1 adrenergic receptor of rat brain homogenate


Bioorg Med Chem Lett 13: 701-4 (2003)


Article DOI: 10.1016/s0960-894x(02)01056-9
BindingDB Entry DOI: 10.7270/Q2B56J44
More data for this
Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50124935
PNG
(2-Methyl-5-[4-(4-methyl-benzyl)-piperazin-1-yl]-1,...)
Show SMILES CC1Cc2cccc3CCC(N4CCN(Cc5ccc(C)cc5)CC4)C(=O)N1c23
Show InChI InChI=1/C25H31N3O/c1-18-6-8-20(9-7-18)17-26-12-14-27(15-13-26)23-11-10-21-4-3-5-22-16-19(2)28(24(21)22)25(23)29/h3-9,19,23H,10-17H2,1-2H3
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1.00E+3n/an/an/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
D4 receptor functional activity was measured inhibition of quinpirole stimulated [35S]GTP-gamma-S binding from cell membranes.


Bioorg Med Chem Lett 13: 701-4 (2003)


Article DOI: 10.1016/s0960-894x(02)01056-9
BindingDB Entry DOI: 10.7270/Q2B56J44
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50092054
PNG
(3-[4-(4-Chloro-benzyl)-piperazin-1-yl]-1-ethyl-1,3...)
Show SMILES CCN1c2ccccc2CCC(N2CCN(Cc3ccc(Cl)cc3)CC2)C1=O
Show InChI InChI=1/C23H28ClN3O/c1-2-27-21-6-4-3-5-19(21)9-12-22(23(27)28)26-15-13-25(14-16-26)17-18-7-10-20(24)11-8-18/h3-8,10-11,22H,2,9,12-17H2,1H3
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>1.00E+3n/an/an/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]-YM 09151 from D2 receptor


Bioorg Med Chem Lett 13: 701-4 (2003)


Article DOI: 10.1016/s0960-894x(02)01056-9
BindingDB Entry DOI: 10.7270/Q2B56J44
More data for this
Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50124934
PNG
(5-[4-(4-Chloro-benzyl)-piperazin-1-yl]-2-methyl-1,...)
Show SMILES CC1Cc2cccc3CCC(N4CCN(Cc5ccc(Cl)cc5)CC4)C(=O)N1c23
Show InChI InChI=1/C24H28ClN3O/c1-17-15-20-4-2-3-19-7-10-22(24(29)28(17)23(19)20)27-13-11-26(12-14-27)16-18-5-8-21(25)9-6-18/h2-6,8-9,17,22H,7,10-16H2,1H3
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1.00E+3n/an/an/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from alpha-1 adrenergic receptor of rat brain homogenate


Bioorg Med Chem Lett 13: 701-4 (2003)


Article DOI: 10.1016/s0960-894x(02)01056-9
BindingDB Entry DOI: 10.7270/Q2B56J44
More data for this
Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50124938
PNG
(5-[4-(5-Chloro-2-methoxy-benzyl)-piperazin-1-yl]-2...)
Show SMILES COc1ccc(Cl)cc1CN1CCN(CC1)C1CCc2cccc3CC(C)(C)N(c23)C1=O
Show InChI InChI=1/C26H32ClN3O2/c1-26(2)16-19-6-4-5-18-7-9-22(25(31)30(26)24(18)19)29-13-11-28(12-14-29)17-20-15-21(27)8-10-23(20)32-3/h4-6,8,10,15,22H,7,9,11-14,16-17H2,1-3H3
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1.06E+3n/an/an/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from alpha-1 adrenergic receptor of rat brain homogenate


Bioorg Med Chem Lett 13: 701-4 (2003)


Article DOI: 10.1016/s0960-894x(02)01056-9
BindingDB Entry DOI: 10.7270/Q2B56J44
More data for this
Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50092046
PNG
(3-[4-(4-Chloro-benzyl)-piperazin-1-yl]-1-ethyl-3,4...)
Show SMILES CCN1C(=O)C(Cc2ccccc12)N1CCN(Cc2ccc(Cl)cc2)CC1
Show InChI InChI=1/C22H26ClN3O/c1-2-26-20-6-4-3-5-18(20)15-21(22(26)27)25-13-11-24(12-14-25)16-17-7-9-19(23)10-8-17/h3-10,21H,2,11-16H2,1H3
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1.27E+3n/an/an/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from alpha-1 adrenergic receptor of rat brain homogenate


Bioorg Med Chem Lett 13: 701-4 (2003)


Article DOI: 10.1016/s0960-894x(02)01056-9
BindingDB Entry DOI: 10.7270/Q2B56J44
More data for this
Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50124932
PNG
(5-[4-(4-Methyl-benzyl)-piperazin-1-yl]-1,2,6,7-tet...)
Show SMILES Cc1ccc(CN2CCN(CC2)C2CCc3cccc4CCN(c34)C2=O)cc1
Show InChI InChI=1/C24H29N3O/c1-18-5-7-19(8-6-18)17-25-13-15-26(16-14-25)22-10-9-20-3-2-4-21-11-12-27(23(20)21)24(22)28/h2-8,22H,9-17H2,1H3
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1.36E+3n/an/an/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from alpha-1 adrenergic receptor of rat brain homogenate


Bioorg Med Chem Lett 13: 701-4 (2003)


Article DOI: 10.1016/s0960-894x(02)01056-9
BindingDB Entry DOI: 10.7270/Q2B56J44
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50092054
PNG
(3-[4-(4-Chloro-benzyl)-piperazin-1-yl]-1-ethyl-1,3...)
Show SMILES CCN1c2ccccc2CCC(N2CCN(Cc3ccc(Cl)cc3)CC2)C1=O
Show InChI InChI=1/C23H28ClN3O/c1-2-27-21-6-4-3-5-19(21)9-12-22(23(27)28)26-15-13-25(14-16-26)17-18-7-10-20(24)11-8-18/h3-8,10-11,22H,2,9,12-17H2,1H3
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1.51E+3n/an/an/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]-YM 09151 from D4 receptor


Bioorg Med Chem Lett 13: 701-4 (2003)


Article DOI: 10.1016/s0960-894x(02)01056-9
BindingDB Entry DOI: 10.7270/Q2B56J44
More data for this
Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50124937
PNG
(5-[4-(4-Chloro-benzyl)-piperazin-1-yl]-2,2-dimethy...)
Show SMILES CC1(C)Cc2cccc3CCC(N4CCN(Cc5ccc(Cl)cc5)CC4)C(=O)N1c23
Show InChI InChI=1/C25H30ClN3O/c1-25(2)16-20-5-3-4-19-8-11-22(24(30)29(25)23(19)20)28-14-12-27(13-15-28)17-18-6-9-21(26)10-7-18/h3-7,9-10,22H,8,11-17H2,1-2H3
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1.74E+3n/an/an/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from alpha-1 adrenergic receptor of rat brain homogenate


Bioorg Med Chem Lett 13: 701-4 (2003)


Article DOI: 10.1016/s0960-894x(02)01056-9
BindingDB Entry DOI: 10.7270/Q2B56J44
More data for this
Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50124931
PNG
(5-[4-(4-Chloro-benzyl)-piperazin-1-yl]-1,2,6,7-tet...)
Show SMILES Clc1ccc(CN2CCN(CC2)C2CCc3cccc4CCN(c34)C2=O)cc1
Show InChI InChI=1/C23H26ClN3O/c24-20-7-4-17(5-8-20)16-25-12-14-26(15-13-25)21-9-6-18-2-1-3-19-10-11-27(22(18)19)23(21)28/h1-5,7-8,21H,6,9-16H2
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2.28E+3n/an/an/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]-YM 09151 from D2 receptor


Bioorg Med Chem Lett 13: 701-4 (2003)


Article DOI: 10.1016/s0960-894x(02)01056-9
BindingDB Entry DOI: 10.7270/Q2B56J44
More data for this
Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50092054
PNG
(3-[4-(4-Chloro-benzyl)-piperazin-1-yl]-1-ethyl-1,3...)
Show SMILES CCN1c2ccccc2CCC(N2CCN(Cc3ccc(Cl)cc3)CC2)C1=O
Show InChI InChI=1/C23H28ClN3O/c1-2-27-21-6-4-3-5-19(21)9-12-22(23(27)28)26-15-13-25(14-16-26)17-18-7-10-20(24)11-8-18/h3-8,10-11,22H,2,9,12-17H2,1H3
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2.68E+3n/an/an/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from alpha-1 adrenergic receptor of rat brain homogenate


Bioorg Med Chem Lett 13: 701-4 (2003)


Article DOI: 10.1016/s0960-894x(02)01056-9
BindingDB Entry DOI: 10.7270/Q2B56J44
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%