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Compile Data Set for Download or QSAR

Found 102 hits Enz. Inhib. hit(s) with all data for entry = 50012520   
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(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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1n/an/an/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Binding affinity towards Dopamine type 2 receptor was determined by displacement assays using [3H]-YM 09151 as the competitive ligand


Bioorg Med Chem Lett 12: 3111-5 (2002)


BindingDB Entry DOI: 10.7270/Q2DZ07ND
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50119970
PNG
(2-[4-(4-Methyl-benzyl)-piperazin-1-yl]-1-((R)-2-me...)
Show SMILES C[C@@H]1Cc2ccccc2N1C(=O)CN1CCN(Cc2ccc(C)cc2)CC1
Show InChI InChI=1S/C23H29N3O/c1-18-7-9-20(10-8-18)16-24-11-13-25(14-12-24)17-23(27)26-19(2)15-21-5-3-4-6-22(21)26/h3-10,19H,11-17H2,1-2H3/t19-/m1/s1
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2n/an/an/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Binding affinity towards Dopamine receptor D4 was determined via standard competitive displacement assays using [3H]-YM 09151 as the competitive liga...


Bioorg Med Chem Lett 12: 3111-5 (2002)


BindingDB Entry DOI: 10.7270/Q2DZ07ND
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50119985
PNG
(2-[4-(3-Fluoro-4-methyl-benzyl)-piperazin-1-yl]-1-...)
Show SMILES C[C@@H]1Cc2ccccc2N1C(=O)CN1CCN(Cc2ccc(C)c(F)c2)CC1
Show InChI InChI=1S/C23H28FN3O/c1-17-7-8-19(14-21(17)24)15-25-9-11-26(12-10-25)16-23(28)27-18(2)13-20-5-3-4-6-22(20)27/h3-8,14,18H,9-13,15-16H2,1-2H3/t18-/m1/s1
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2n/an/an/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Binding affinity towards Dopamine type 4 receptor was determined by competitive displacement assays using [3H]-YM 09151 as the competitive ligand


Bioorg Med Chem Lett 12: 3111-5 (2002)


BindingDB Entry DOI: 10.7270/Q2DZ07ND
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50119974
PNG
(2-[4-(4-Chloro-2-methoxy-benzyl)-piperazin-1-yl]-1...)
Show SMILES COc1cc(Cl)ccc1CN1CCN(CC(=O)N2[C@H](C)Cc3ccccc23)CC1
Show InChI InChI=1S/C23H28ClN3O2/c1-17-13-18-5-3-4-6-21(18)27(17)23(28)16-26-11-9-25(10-12-26)15-19-7-8-20(24)14-22(19)29-2/h3-8,14,17H,9-13,15-16H2,1-2H3/t17-/m1/s1
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3n/an/an/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Binding affinity towards Dopamine type 4 receptor was determined by competitive displacement assays using [3H]-YM 09151 as the competitive ligand


Bioorg Med Chem Lett 12: 3111-5 (2002)


BindingDB Entry DOI: 10.7270/Q2DZ07ND
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50119990
PNG
(1-((R)-2-Ethyl-2,3-dihydro-indol-1-yl)-2-[4-(4-met...)
Show SMILES CC[C@@H]1Cc2ccccc2N1C(=O)CN1CCN(Cc2ccc(C)cc2)CC1
Show InChI InChI=1S/C24H31N3O/c1-3-22-16-21-6-4-5-7-23(21)27(22)24(28)18-26-14-12-25(13-15-26)17-20-10-8-19(2)9-11-20/h4-11,22H,3,12-18H2,1-2H3/t22-/m1/s1
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3n/an/an/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Binding affinity towards Dopamine type 4 receptor was determined by competitive displacement assays using [3H]-YM 09151 as the competitive ligand


Bioorg Med Chem Lett 12: 3111-5 (2002)


BindingDB Entry DOI: 10.7270/Q2DZ07ND
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50119968
PNG
(2-[4-(4-Ethyl-benzyl)-piperazin-1-yl]-1-((R)-2-met...)
Show SMILES CCc1ccc(CN2CCN(CC(=O)N3[C@H](C)Cc4ccccc34)CC2)cc1
Show InChI InChI=1S/C24H31N3O/c1-3-20-8-10-21(11-9-20)17-25-12-14-26(15-13-25)18-24(28)27-19(2)16-22-6-4-5-7-23(22)27/h4-11,19H,3,12-18H2,1-2H3/t19-/m1/s1
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3n/an/an/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Binding affinity towards Dopamine type 4 receptor was determined by competitive displacement assays using [3H]-YM 09151 as the competitive ligand


Bioorg Med Chem Lett 12: 3111-5 (2002)


BindingDB Entry DOI: 10.7270/Q2DZ07ND
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50119991
PNG
(2-(4-Benzo[1,3]dioxol-5-ylmethyl-piperazin-1-yl)-1...)
Show SMILES C[C@@H]1Cc2ccccc2N1C(=O)CN1CCN(Cc2ccc3OCOc3c2)CC1
Show InChI InChI=1S/C23H27N3O3/c1-17-12-19-4-2-3-5-20(19)26(17)23(27)15-25-10-8-24(9-11-25)14-18-6-7-21-22(13-18)29-16-28-21/h2-7,13,17H,8-12,14-16H2,1H3/t17-/m1/s1
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3n/an/an/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Binding affinity towards Dopamine type 4 receptor was determined by competitive displacement assays using [3H]-YM 09151 as the competitive ligand


Bioorg Med Chem Lett 12: 3111-5 (2002)


BindingDB Entry DOI: 10.7270/Q2DZ07ND
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50119980
PNG
(2-[4-(2-Chloro-benzyl)-piperazin-1-yl]-1-((R)-2-me...)
Show SMILES C[C@@H]1Cc2ccccc2N1C(=O)CN1CCN(Cc2ccccc2Cl)CC1
Show InChI InChI=1S/C22H26ClN3O/c1-17-14-18-6-3-5-9-21(18)26(17)22(27)16-25-12-10-24(11-13-25)15-19-7-2-4-8-20(19)23/h2-9,17H,10-16H2,1H3/t17-/m1/s1
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4n/an/an/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Binding affinity towards Dopamine type 4 receptor was determined by competitive displacement assays using [3H]-YM 09151 as the competitive ligand


Bioorg Med Chem Lett 12: 3111-5 (2002)


BindingDB Entry DOI: 10.7270/Q2DZ07ND
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50119973
PNG
(2-[4-(4-Chloro-benzyl)-piperazin-1-yl]-1-((R)-2-et...)
Show SMILES CC[C@@H]1Cc2ccccc2N1C(=O)CN1CCN(Cc2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C23H28ClN3O/c1-2-21-15-19-5-3-4-6-22(19)27(21)23(28)17-26-13-11-25(12-14-26)16-18-7-9-20(24)10-8-18/h3-10,21H,2,11-17H2,1H3/t21-/m1/s1
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4n/an/an/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Binding affinity towards Dopamine type 4 receptor was determined by competitive displacement assays using [3H]-YM 09151 as the competitive ligand


Bioorg Med Chem Lett 12: 3111-5 (2002)


BindingDB Entry DOI: 10.7270/Q2DZ07ND
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50119977
PNG
(2-[4-(4-Chloro-benzyl)-piperazin-1-yl]-1-((S)-2-vi...)
Show SMILES Clc1ccc(CN2CCN(CC(=O)N3[C@@H](Cc4ccccc34)C=C)CC2)cc1
Show InChI InChI=1S/C23H26ClN3O/c1-2-21-15-19-5-3-4-6-22(19)27(21)23(28)17-26-13-11-25(12-14-26)16-18-7-9-20(24)10-8-18/h2-10,21H,1,11-17H2/t21-/m1/s1
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5n/an/an/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Binding affinity towards Dopamine type 4 receptor was determined by competitive displacement assays using [3H]-YM 09151 as the competitive ligand


Bioorg Med Chem Lett 12: 3111-5 (2002)


BindingDB Entry DOI: 10.7270/Q2DZ07ND
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50119992
PNG
(2-[4-(4-Fluoro-benzyl)-piperazin-1-yl]-1-((R)-2-me...)
Show SMILES C[C@@H]1Cc2ccccc2N1C(=O)CN1CCN(Cc2ccc(F)cc2)CC1
Show InChI InChI=1S/C22H26FN3O/c1-17-14-19-4-2-3-5-21(19)26(17)22(27)16-25-12-10-24(11-13-25)15-18-6-8-20(23)9-7-18/h2-9,17H,10-16H2,1H3/t17-/m1/s1
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5n/an/an/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Binding affinity towards Dopamine type 4 receptor was determined by competitive displacement assays using [3H]-YM 09151 as the competitive ligand


Bioorg Med Chem Lett 12: 3111-5 (2002)


BindingDB Entry DOI: 10.7270/Q2DZ07ND
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50119993
PNG
(2-[4-(5-Chloro-2-methoxy-benzyl)-piperazin-1-yl]-1...)
Show SMILES COc1ccc(Cl)cc1CN1CCN(CC(=O)N2[C@H](C)Cc3ccccc23)CC1
Show InChI InChI=1S/C23H28ClN3O2/c1-17-13-18-5-3-4-6-21(18)27(17)23(28)16-26-11-9-25(10-12-26)15-19-14-20(24)7-8-22(19)29-2/h3-8,14,17H,9-13,15-16H2,1-2H3/t17-/m1/s1
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5n/an/an/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Binding affinity towards Dopamine type 4 receptor was determined by competitive displacement assays using [3H]-YM 09151 as the competitive ligand


Bioorg Med Chem Lett 12: 3111-5 (2002)


BindingDB Entry DOI: 10.7270/Q2DZ07ND
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(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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5n/an/an/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Binding affinity towards Dopamine type 4 receptor was determined by competitive displacement assays using [3H]-YM 09151 as the competitive ligand


Bioorg Med Chem Lett 12: 3111-5 (2002)


BindingDB Entry DOI: 10.7270/Q2DZ07ND
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50119976
PNG
((S)-1-{2-[4-(4-Chloro-benzyl)-piperazin-1-yl]-acet...)
Show SMILES COC(=O)[C@@H]1Cc2ccccc2N1C(=O)CN1CCN(Cc2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C23H26ClN3O3/c1-30-23(29)21-14-18-4-2-3-5-20(18)27(21)22(28)16-26-12-10-25(11-13-26)15-17-6-8-19(24)9-7-17/h2-9,21H,10-16H2,1H3/t21-/m0/s1
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5n/an/an/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Binding affinity towards Dopamine type 4 receptor was determined by competitive displacement assays using [3H]-YM 09151 as the competitive ligand


Bioorg Med Chem Lett 12: 3111-5 (2002)


BindingDB Entry DOI: 10.7270/Q2DZ07ND
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50119987
PNG
(1-((R)-2-Methyl-2,3-dihydro-indol-1-yl)-2-[4-(4-tr...)
Show SMILES C[C@@H]1Cc2ccccc2N1C(=O)CN1CCN(Cc2ccc(cc2)C(F)(F)F)CC1
Show InChI InChI=1S/C23H26F3N3O/c1-17-14-19-4-2-3-5-21(19)29(17)22(30)16-28-12-10-27(11-13-28)15-18-6-8-20(9-7-18)23(24,25)26/h2-9,17H,10-16H2,1H3/t17-/m1/s1
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5n/an/an/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Binding affinity towards Dopamine type 4 receptor was determined by competitive displacement assays using [3H]-YM 09151 as the competitive ligand


Bioorg Med Chem Lett 12: 3111-5 (2002)


BindingDB Entry DOI: 10.7270/Q2DZ07ND
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50119975
PNG
(2-[4-(3-Fluoro-benzyl)-piperazin-1-yl]-1-((R)-2-me...)
Show SMILES C[C@@H]1Cc2ccccc2N1C(=O)CN1CCN(Cc2cccc(F)c2)CC1
Show InChI InChI=1S/C22H26FN3O/c1-17-13-19-6-2-3-8-21(19)26(17)22(27)16-25-11-9-24(10-12-25)15-18-5-4-7-20(23)14-18/h2-8,14,17H,9-13,15-16H2,1H3/t17-/m1/s1
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6n/an/an/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Binding affinity towards Dopamine type 4 receptor was determined by competitive displacement assays using [3H]-YM 09151 as the competitive ligand


Bioorg Med Chem Lett 12: 3111-5 (2002)


BindingDB Entry DOI: 10.7270/Q2DZ07ND
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50119964
PNG
(2-[4-(4-Chloro-benzyl)-piperazin-1-yl]-1-((R)-2-me...)
Show SMILES C[C@@H]1Cc2ccccc2N1C(=O)CN1CCN(Cc2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C22H26ClN3O/c1-17-14-19-4-2-3-5-21(19)26(17)22(27)16-25-12-10-24(11-13-25)15-18-6-8-20(23)9-7-18/h2-9,17H,10-16H2,1H3/t17-/m1/s1
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6n/an/an/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Binding affinity towards Dopamine type 4 receptor was determined by competitive displacement assays using [3H]-YM 09151 as the competitive ligand


Bioorg Med Chem Lett 12: 3111-5 (2002)


BindingDB Entry DOI: 10.7270/Q2DZ07ND
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50119979
PNG
(2-[4-(4-Chloro-2,5-difluoro-benzyl)-piperazin-1-yl...)
Show SMILES C[C@@H]1Cc2ccccc2N1C(=O)CN1CCN(Cc2cc(F)c(Cl)cc2F)CC1
Show InChI InChI=1S/C22H24ClF2N3O/c1-15-10-16-4-2-3-5-21(16)28(15)22(29)14-27-8-6-26(7-9-27)13-17-11-20(25)18(23)12-19(17)24/h2-5,11-12,15H,6-10,13-14H2,1H3/t15-/m1/s1
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6n/an/an/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Binding affinity towards Dopamine type 4 receptor was determined by competitive displacement assays using [3H]-YM 09151 as the competitive ligand


Bioorg Med Chem Lett 12: 3111-5 (2002)


BindingDB Entry DOI: 10.7270/Q2DZ07ND
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50119971
PNG
(2-[4-(3-Chloro-benzyl)-piperazin-1-yl]-1-((R)-2-me...)
Show SMILES C[C@@H]1Cc2ccccc2N1C(=O)CN1CCN(Cc2cccc(Cl)c2)CC1
Show InChI InChI=1S/C22H26ClN3O/c1-17-13-19-6-2-3-8-21(19)26(17)22(27)16-25-11-9-24(10-12-25)15-18-5-4-7-20(23)14-18/h2-8,14,17H,9-13,15-16H2,1H3/t17-/m1/s1
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6.10n/an/an/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Binding affinity towards Dopamine type 4 receptor was determined by competitive displacement assays using [3H]-YM 09151 as the competitive ligand


Bioorg Med Chem Lett 12: 3111-5 (2002)


BindingDB Entry DOI: 10.7270/Q2DZ07ND
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50119965
PNG
(2-[4-(3,5-Dichloro-benzyl)-piperazin-1-yl]-1-((R)-...)
Show SMILES C[C@@H]1Cc2ccccc2N1C(=O)CN1CCN(Cc2cc(Cl)cc(Cl)c2)CC1
Show InChI InChI=1S/C22H25Cl2N3O/c1-16-10-18-4-2-3-5-21(18)27(16)22(28)15-26-8-6-25(7-9-26)14-17-11-19(23)13-20(24)12-17/h2-5,11-13,16H,6-10,14-15H2,1H3/t16-/m1/s1
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7n/an/an/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Binding affinity towards Dopamine type 4 receptor was determined by competitive displacement assays using [3H]-YM 09151 as the competitive ligand


Bioorg Med Chem Lett 12: 3111-5 (2002)


BindingDB Entry DOI: 10.7270/Q2DZ07ND
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50119986
PNG
((S)-1-{2-[4-(4-Methyl-benzyl)-piperazin-1-yl]-acet...)
Show SMILES COC(=O)[C@@H]1Cc2ccccc2N1C(=O)CN1CCN(Cc2ccc(C)cc2)CC1
Show InChI InChI=1S/C24H29N3O3/c1-18-7-9-19(10-8-18)16-25-11-13-26(14-12-25)17-23(28)27-21-6-4-3-5-20(21)15-22(27)24(29)30-2/h3-10,22H,11-17H2,1-2H3/t22-/m0/s1
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8n/an/an/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Binding affinity towards Dopamine type 4 receptor was determined by competitive displacement assays using [3H]-YM 09151 as the competitive ligand


Bioorg Med Chem Lett 12: 3111-5 (2002)


BindingDB Entry DOI: 10.7270/Q2DZ07ND
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50119984
PNG
(2-[4-(4-Methoxy-benzyl)-piperazin-1-yl]-1-((R)-2-m...)
Show SMILES COc1ccc(CN2CCN(CC(=O)N3[C@H](C)Cc4ccccc34)CC2)cc1
Show InChI InChI=1S/C23H29N3O2/c1-18-15-20-5-3-4-6-22(20)26(18)23(27)17-25-13-11-24(12-14-25)16-19-7-9-21(28-2)10-8-19/h3-10,18H,11-17H2,1-2H3/t18-/m1/s1
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9.90n/an/an/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Binding affinity towards Dopamine type 4 receptor was determined by competitive displacement assays using [3H]-YM 09151 as the competitive ligand


Bioorg Med Chem Lett 12: 3111-5 (2002)


BindingDB Entry DOI: 10.7270/Q2DZ07ND
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50119989
PNG
(2-[4-(4-Chloro-benzyl)-piperazin-1-yl]-1-((S)-2-hy...)
Show SMILES OC[C@@H]1Cc2ccccc2N1C(=O)CN1CCN(Cc2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C22H26ClN3O2/c23-19-7-5-17(6-8-19)14-24-9-11-25(12-10-24)15-22(28)26-20(16-27)13-18-3-1-2-4-21(18)26/h1-8,20,27H,9-16H2/t20-/m0/s1
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10n/an/an/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Binding affinity towards Dopamine type 4 receptor was determined by competitive displacement assays using [3H]-YM 09151 as the competitive ligand


Bioorg Med Chem Lett 12: 3111-5 (2002)


BindingDB Entry DOI: 10.7270/Q2DZ07ND
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50119983
PNG
(2-[4-(5-Chloro-2-isopropyl-benzyl)-piperazin-1-yl]...)
Show SMILES CC(C)c1ccc(Cl)cc1CN1CCN(CC(=O)N2[C@H](C)Cc3ccccc23)CC1
Show InChI InChI=1S/C25H32ClN3O/c1-18(2)23-9-8-22(26)15-21(23)16-27-10-12-28(13-11-27)17-25(30)29-19(3)14-20-6-4-5-7-24(20)29/h4-9,15,18-19H,10-14,16-17H2,1-3H3/t19-/m1/s1
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10n/an/an/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Binding affinity towards Dopamine type 4 receptor was determined by competitive displacement assays using [3H]-YM 09151 as the competitive ligand


Bioorg Med Chem Lett 12: 3111-5 (2002)


BindingDB Entry DOI: 10.7270/Q2DZ07ND
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50119972
PNG
(2-[4-(5-Chloro-2-ethoxy-benzyl)-piperazin-1-yl]-1-...)
Show SMILES CCOc1ccc(Cl)cc1CN1CCN(CC(=O)N2[C@H](C)Cc3ccccc23)CC1
Show InChI InChI=1S/C24H30ClN3O2/c1-3-30-23-9-8-21(25)15-20(23)16-26-10-12-27(13-11-26)17-24(29)28-18(2)14-19-6-4-5-7-22(19)28/h4-9,15,18H,3,10-14,16-17H2,1-2H3/t18-/m1/s1
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11n/an/an/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Binding affinity towards Dopamine type 4 receptor was determined by competitive displacement assays using [3H]-YM 09151 as the competitive ligand


Bioorg Med Chem Lett 12: 3111-5 (2002)


BindingDB Entry DOI: 10.7270/Q2DZ07ND
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50119994
PNG
(2-[4-(2-Chloro-3,4-difluoro-benzyl)-piperazin-1-yl...)
Show SMILES C[C@@H]1Cc2ccccc2N1C(=O)CN1CCN(Cc2ccc(F)c(F)c2Cl)CC1
Show InChI InChI=1S/C22H24ClF2N3O/c1-15-12-16-4-2-3-5-19(16)28(15)20(29)14-27-10-8-26(9-11-27)13-17-6-7-18(24)22(25)21(17)23/h2-7,15H,8-14H2,1H3/t15-/m1/s1
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12n/an/an/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Binding affinity towards Dopamine type 4 receptor was determined by competitive displacement assays using [3H]-YM 09151 as the competitive ligand


Bioorg Med Chem Lett 12: 3111-5 (2002)


BindingDB Entry DOI: 10.7270/Q2DZ07ND
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50119967
PNG
(2-[4-(2,5-Dichloro-benzyl)-piperazin-1-yl]-1-((R)-...)
Show SMILES C[C@@H]1Cc2ccccc2N1C(=O)CN1CCN(Cc2cc(Cl)ccc2Cl)CC1
Show InChI InChI=1S/C22H25Cl2N3O/c1-16-12-17-4-2-3-5-21(17)27(16)22(28)15-26-10-8-25(9-11-26)14-18-13-19(23)6-7-20(18)24/h2-7,13,16H,8-12,14-15H2,1H3/t16-/m1/s1
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12n/an/an/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Binding affinity towards Dopamine type 4 receptor was determined by competitive displacement assays using [3H]-YM 09151 as the competitive ligand


Bioorg Med Chem Lett 12: 3111-5 (2002)


BindingDB Entry DOI: 10.7270/Q2DZ07ND
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50119969
PNG
(2-[4-(4-Chloro-benzyl)-piperazin-1-yl]-1-((S)-2-fl...)
Show SMILES FC[C@@H]1Cc2ccccc2N1C(=O)CN1CCN(Cc2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C22H25ClFN3O/c23-19-7-5-17(6-8-19)15-25-9-11-26(12-10-25)16-22(28)27-20(14-24)13-18-3-1-2-4-21(18)27/h1-8,20H,9-16H2/t20-/m0/s1
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21n/an/an/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Binding affinity towards Dopamine type 4 receptor was determined by competitive displacement assays using [3H]-YM 09151 as the competitive ligand


Bioorg Med Chem Lett 12: 3111-5 (2002)


BindingDB Entry DOI: 10.7270/Q2DZ07ND
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50119996
PNG
(2-[4-(2-Fluoro-benzyl)-piperazin-1-yl]-1-((R)-2-me...)
Show SMILES C[C@@H]1Cc2ccccc2N1C(=O)CN1CCN(Cc2ccccc2F)CC1
Show InChI InChI=1S/C22H26FN3O/c1-17-14-18-6-3-5-9-21(18)26(17)22(27)16-25-12-10-24(11-13-25)15-19-7-2-4-8-20(19)23/h2-9,17H,10-16H2,1H3/t17-/m1/s1
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27n/an/an/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Binding affinity towards Dopamine type 4 receptor was determined by competitive displacement assays using [3H]-YM 09151 as the competitive ligand


Bioorg Med Chem Lett 12: 3111-5 (2002)


BindingDB Entry DOI: 10.7270/Q2DZ07ND
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50119993
PNG
(2-[4-(5-Chloro-2-methoxy-benzyl)-piperazin-1-yl]-1...)
Show SMILES COc1ccc(Cl)cc1CN1CCN(CC(=O)N2[C@H](C)Cc3ccccc23)CC1
Show InChI InChI=1S/C23H28ClN3O2/c1-17-13-18-5-3-4-6-21(18)27(17)23(28)16-26-11-9-25(10-12-26)15-19-14-20(24)7-8-22(19)29-2/h3-8,14,17H,9-13,15-16H2,1-2H3/t17-/m1/s1
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28n/an/an/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Binding affinity towards Dopamine type 2 receptor was determined by displacement assays using [3H]-YM 09151 as the competitive ligand


Bioorg Med Chem Lett 12: 3111-5 (2002)


BindingDB Entry DOI: 10.7270/Q2DZ07ND
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50119988
PNG
(2-[4-(2,5-Dimethoxy-benzyl)-piperazin-1-yl]-1-((R)...)
Show SMILES COc1ccc(OC)c(CN2CCN(CC(=O)N3[C@H](C)Cc4ccccc34)CC2)c1
Show InChI InChI=1S/C24H31N3O3/c1-18-14-19-6-4-5-7-22(19)27(18)24(28)17-26-12-10-25(11-13-26)16-20-15-21(29-2)8-9-23(20)30-3/h4-9,15,18H,10-14,16-17H2,1-3H3/t18-/m1/s1
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29n/an/an/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Binding affinity towards Dopamine type 4 receptor was determined by competitive displacement assays using [3H]-YM 09151 as the competitive ligand


Bioorg Med Chem Lett 12: 3111-5 (2002)


BindingDB Entry DOI: 10.7270/Q2DZ07ND
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50119995
PNG
(2-[4-(3,4-Dichloro-benzyl)-piperazin-1-yl]-1-((R)-...)
Show SMILES C[C@@H]1Cc2ccccc2N1C(=O)CN1CCN(Cc2ccc(Cl)c(Cl)c2)CC1
Show InChI InChI=1S/C22H25Cl2N3O/c1-16-12-18-4-2-3-5-21(18)27(16)22(28)15-26-10-8-25(9-11-26)14-17-6-7-19(23)20(24)13-17/h2-7,13,16H,8-12,14-15H2,1H3/t16-/m1/s1
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43n/an/an/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Binding affinity towards Dopamine type 4 receptor was determined by competitive displacement assays using [3H]-YM 09151 as the competitive ligand


Bioorg Med Chem Lett 12: 3111-5 (2002)


BindingDB Entry DOI: 10.7270/Q2DZ07ND
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50119995
PNG
(2-[4-(3,4-Dichloro-benzyl)-piperazin-1-yl]-1-((R)-...)
Show SMILES C[C@@H]1Cc2ccccc2N1C(=O)CN1CCN(Cc2ccc(Cl)c(Cl)c2)CC1
Show InChI InChI=1S/C22H25Cl2N3O/c1-16-12-18-4-2-3-5-21(18)27(16)22(28)15-26-10-8-25(9-11-26)14-17-6-7-19(23)20(24)13-17/h2-7,13,16H,8-12,14-15H2,1H3/t16-/m1/s1
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43n/an/an/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Binding affinity towards Dopamine type 2 receptor was determined by displacement assays using [3H]-YM 09151 as the competitive ligand


Bioorg Med Chem Lett 12: 3111-5 (2002)


BindingDB Entry DOI: 10.7270/Q2DZ07ND
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50119988
PNG
(2-[4-(2,5-Dimethoxy-benzyl)-piperazin-1-yl]-1-((R)...)
Show SMILES COc1ccc(OC)c(CN2CCN(CC(=O)N3[C@H](C)Cc4ccccc34)CC2)c1
Show InChI InChI=1S/C24H31N3O3/c1-18-14-19-6-4-5-7-22(19)27(18)24(28)17-26-12-10-25(11-13-26)16-20-15-21(29-2)8-9-23(20)30-3/h4-9,15,18H,10-14,16-17H2,1-3H3/t18-/m1/s1
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59n/an/an/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Binding affinity towards Dopamine type 2 receptor was determined by displacement assays using [3H]-YM 09151 as the competitive ligand


Bioorg Med Chem Lett 12: 3111-5 (2002)


BindingDB Entry DOI: 10.7270/Q2DZ07ND
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50119978
PNG
(2-[4-(4-Methyl-benzyl)-piperazin-1-yl]-1-((S)-2-me...)
Show SMILES C[C@H]1Cc2ccccc2N1C(=O)CN1CCN(Cc2ccc(C)cc2)CC1
Show InChI InChI=1S/C23H29N3O/c1-18-7-9-20(10-8-18)16-24-11-13-25(14-12-24)17-23(27)26-19(2)15-21-5-3-4-6-22(21)26/h3-10,19H,11-17H2,1-2H3/t19-/m0/s1
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64n/an/an/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Binding affinity towards Dopamine type 4 receptor was determined by competitive displacement assays using [3H]-YM 09151 as the competitive ligand


Bioorg Med Chem Lett 12: 3111-5 (2002)


BindingDB Entry DOI: 10.7270/Q2DZ07ND
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50119967
PNG
(2-[4-(2,5-Dichloro-benzyl)-piperazin-1-yl]-1-((R)-...)
Show SMILES C[C@@H]1Cc2ccccc2N1C(=O)CN1CCN(Cc2cc(Cl)ccc2Cl)CC1
Show InChI InChI=1S/C22H25Cl2N3O/c1-16-12-17-4-2-3-5-21(17)27(16)22(28)15-26-10-8-25(9-11-26)14-18-13-19(23)6-7-20(18)24/h2-7,13,16H,8-12,14-15H2,1H3/t16-/m1/s1
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95n/an/an/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Binding affinity towards Dopamine type 2 receptor was determined by displacement assays using [3H]-YM 09151 as the competitive ligand


Bioorg Med Chem Lett 12: 3111-5 (2002)


BindingDB Entry DOI: 10.7270/Q2DZ07ND
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50119990
PNG
(1-((R)-2-Ethyl-2,3-dihydro-indol-1-yl)-2-[4-(4-met...)
Show SMILES CC[C@@H]1Cc2ccccc2N1C(=O)CN1CCN(Cc2ccc(C)cc2)CC1
Show InChI InChI=1S/C24H31N3O/c1-3-22-16-21-6-4-5-7-23(21)27(22)24(28)18-26-14-12-25(13-15-26)17-20-10-8-19(2)9-11-20/h4-11,22H,3,12-18H2,1-2H3/t22-/m1/s1
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96n/an/an/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Binding affinity towards Dopamine type 2 receptor was determined by displacement assays using [3H]-YM 09151 as the competitive ligand


Bioorg Med Chem Lett 12: 3111-5 (2002)


BindingDB Entry DOI: 10.7270/Q2DZ07ND
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50119970
PNG
(2-[4-(4-Methyl-benzyl)-piperazin-1-yl]-1-((R)-2-me...)
Show SMILES C[C@@H]1Cc2ccccc2N1C(=O)CN1CCN(Cc2ccc(C)cc2)CC1
Show InChI InChI=1S/C23H29N3O/c1-18-7-9-20(10-8-18)16-24-11-13-25(14-12-24)17-23(27)26-19(2)15-21-5-3-4-6-22(21)26/h3-10,19H,11-17H2,1-2H3/t19-/m1/s1
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113n/an/an/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Binding affinity towards Dopamine receptor D2 was determined via standard competitive displacement assays using [3H]-YM 09151 as the competitive liga...


Bioorg Med Chem Lett 12: 3111-5 (2002)


BindingDB Entry DOI: 10.7270/Q2DZ07ND
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50119972
PNG
(2-[4-(5-Chloro-2-ethoxy-benzyl)-piperazin-1-yl]-1-...)
Show SMILES CCOc1ccc(Cl)cc1CN1CCN(CC(=O)N2[C@H](C)Cc3ccccc23)CC1
Show InChI InChI=1S/C24H30ClN3O2/c1-3-30-23-9-8-21(25)15-20(23)16-26-10-12-27(13-11-26)17-24(29)28-18(2)14-19-6-4-5-7-22(19)28/h4-9,15,18H,3,10-14,16-17H2,1-2H3/t18-/m1/s1
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134n/an/an/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Binding affinity towards Dopamine type 2 receptor was determined by displacement assays using [3H]-YM 09151 as the competitive ligand


Bioorg Med Chem Lett 12: 3111-5 (2002)


BindingDB Entry DOI: 10.7270/Q2DZ07ND
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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138n/an/an/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Binding affinity towards Dopamine receptor D2 was determined via standard competitive displacement assays using [3H]-YM 09151 as the competitive liga...


Bioorg Med Chem Lett 12: 3111-5 (2002)


BindingDB Entry DOI: 10.7270/Q2DZ07ND
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50119966
PNG
(2-[4-(4-Chloro-benzyl)-piperazin-1-yl]-1-((S)-2-me...)
Show SMILES C[C@H]1Cc2ccccc2N1C(=O)CN1CCN(Cc2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C22H26ClN3O/c1-17-14-19-4-2-3-5-21(19)26(17)22(27)16-25-12-10-24(11-13-25)15-18-6-8-20(23)9-7-18/h2-9,17H,10-16H2,1H3/t17-/m0/s1
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139n/an/an/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Binding affinity towards Dopamine type 4 receptor was determined by competitive displacement assays using [3H]-YM 09151 as the competitive ligand


Bioorg Med Chem Lett 12: 3111-5 (2002)


BindingDB Entry DOI: 10.7270/Q2DZ07ND
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50119964
PNG
(2-[4-(4-Chloro-benzyl)-piperazin-1-yl]-1-((R)-2-me...)
Show SMILES C[C@@H]1Cc2ccccc2N1C(=O)CN1CCN(Cc2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C22H26ClN3O/c1-17-14-19-4-2-3-5-21(19)26(17)22(27)16-25-12-10-24(11-13-25)15-18-6-8-20(23)9-7-18/h2-9,17H,10-16H2,1H3/t17-/m1/s1
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191n/an/an/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Binding affinity towards Dopamine type 2 receptor was determined by displacement assays using [3H]-YM 09151 as the competitive ligand


Bioorg Med Chem Lett 12: 3111-5 (2002)


BindingDB Entry DOI: 10.7270/Q2DZ07ND
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50119994
PNG
(2-[4-(2-Chloro-3,4-difluoro-benzyl)-piperazin-1-yl...)
Show SMILES C[C@@H]1Cc2ccccc2N1C(=O)CN1CCN(Cc2ccc(F)c(F)c2Cl)CC1
Show InChI InChI=1S/C22H24ClF2N3O/c1-15-12-16-4-2-3-5-19(16)28(15)20(29)14-27-10-8-26(9-11-27)13-17-6-7-18(24)22(25)21(17)23/h2-7,15H,8-14H2,1H3/t15-/m1/s1
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199n/an/an/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Binding affinity towards Dopamine type 2 receptor was determined by displacement assays using [3H]-YM 09151 as the competitive ligand


Bioorg Med Chem Lett 12: 3111-5 (2002)


BindingDB Entry DOI: 10.7270/Q2DZ07ND
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50119983
PNG
(2-[4-(5-Chloro-2-isopropyl-benzyl)-piperazin-1-yl]...)
Show SMILES CC(C)c1ccc(Cl)cc1CN1CCN(CC(=O)N2[C@H](C)Cc3ccccc23)CC1
Show InChI InChI=1S/C25H32ClN3O/c1-18(2)23-9-8-22(26)15-21(23)16-27-10-12-28(13-11-27)17-25(30)29-19(3)14-20-6-4-5-7-24(20)29/h4-9,15,18-19H,10-14,16-17H2,1-3H3/t19-/m1/s1
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218n/an/an/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Binding affinity towards Dopamine type 2 receptor was determined by displacement assays using [3H]-YM 09151 as the competitive ligand


Bioorg Med Chem Lett 12: 3111-5 (2002)


BindingDB Entry DOI: 10.7270/Q2DZ07ND
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50119973
PNG
(2-[4-(4-Chloro-benzyl)-piperazin-1-yl]-1-((R)-2-et...)
Show SMILES CC[C@@H]1Cc2ccccc2N1C(=O)CN1CCN(Cc2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C23H28ClN3O/c1-2-21-15-19-5-3-4-6-22(19)27(21)23(28)17-26-13-11-25(12-14-26)16-18-7-9-20(24)10-8-18/h3-10,21H,2,11-17H2,1H3/t21-/m1/s1
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219n/an/an/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Binding affinity towards Dopamine type 2 receptor was determined by displacement assays using [3H]-YM 09151 as the competitive ligand


Bioorg Med Chem Lett 12: 3111-5 (2002)


BindingDB Entry DOI: 10.7270/Q2DZ07ND
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50119977
PNG
(2-[4-(4-Chloro-benzyl)-piperazin-1-yl]-1-((S)-2-vi...)
Show SMILES Clc1ccc(CN2CCN(CC(=O)N3[C@@H](Cc4ccccc34)C=C)CC2)cc1
Show InChI InChI=1S/C23H26ClN3O/c1-2-21-15-19-5-3-4-6-22(19)27(21)23(28)17-26-13-11-25(12-14-26)16-18-7-9-20(24)10-8-18/h2-10,21H,1,11-17H2/t21-/m1/s1
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271n/an/an/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Binding affinity towards Dopamine type 2 receptor was determined by displacement assays using [3H]-YM 09151 as the competitive ligand


Bioorg Med Chem Lett 12: 3111-5 (2002)


BindingDB Entry DOI: 10.7270/Q2DZ07ND
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50119965
PNG
(2-[4-(3,5-Dichloro-benzyl)-piperazin-1-yl]-1-((R)-...)
Show SMILES C[C@@H]1Cc2ccccc2N1C(=O)CN1CCN(Cc2cc(Cl)cc(Cl)c2)CC1
Show InChI InChI=1S/C22H25Cl2N3O/c1-16-10-18-4-2-3-5-21(18)27(16)22(28)15-26-8-6-25(7-9-26)14-17-11-19(23)13-20(24)12-17/h2-5,11-13,16H,6-10,14-15H2,1H3/t16-/m1/s1
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271n/an/an/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Binding affinity towards Dopamine type 2 receptor was determined by displacement assays using [3H]-YM 09151 as the competitive ligand


Bioorg Med Chem Lett 12: 3111-5 (2002)


BindingDB Entry DOI: 10.7270/Q2DZ07ND
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50119974
PNG
(2-[4-(4-Chloro-2-methoxy-benzyl)-piperazin-1-yl]-1...)
Show SMILES COc1cc(Cl)ccc1CN1CCN(CC(=O)N2[C@H](C)Cc3ccccc23)CC1
Show InChI InChI=1S/C23H28ClN3O2/c1-17-13-18-5-3-4-6-21(18)27(17)23(28)16-26-11-9-25(10-12-26)15-19-7-8-20(24)14-22(19)29-2/h3-8,14,17H,9-13,15-16H2,1-2H3/t17-/m1/s1
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273n/an/an/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Binding affinity towards Dopamine type 2 receptor was determined by displacement assays using [3H]-YM 09151 as the competitive ligand


Bioorg Med Chem Lett 12: 3111-5 (2002)


BindingDB Entry DOI: 10.7270/Q2DZ07ND
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50119992
PNG
(2-[4-(4-Fluoro-benzyl)-piperazin-1-yl]-1-((R)-2-me...)
Show SMILES C[C@@H]1Cc2ccccc2N1C(=O)CN1CCN(Cc2ccc(F)cc2)CC1
Show InChI InChI=1S/C22H26FN3O/c1-17-14-19-4-2-3-5-21(19)26(17)22(27)16-25-12-10-24(11-13-25)15-18-6-8-20(23)9-7-18/h2-9,17H,10-16H2,1H3/t17-/m1/s1
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286n/an/an/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Binding affinity towards Dopamine type 2 receptor was determined by displacement assays using [3H]-YM 09151 as the competitive ligand


Bioorg Med Chem Lett 12: 3111-5 (2002)


BindingDB Entry DOI: 10.7270/Q2DZ07ND
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50119986
PNG
((S)-1-{2-[4-(4-Methyl-benzyl)-piperazin-1-yl]-acet...)
Show SMILES COC(=O)[C@@H]1Cc2ccccc2N1C(=O)CN1CCN(Cc2ccc(C)cc2)CC1
Show InChI InChI=1S/C24H29N3O3/c1-18-7-9-19(10-8-18)16-25-11-13-26(14-12-25)17-23(28)27-21-6-4-3-5-20(21)15-22(27)24(29)30-2/h3-10,22H,11-17H2,1-2H3/t22-/m0/s1
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491n/an/an/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Binding affinity towards Dopamine type 2 receptor was determined by displacement assays using [3H]-YM 09151 as the competitive ligand


Bioorg Med Chem Lett 12: 3111-5 (2002)


BindingDB Entry DOI: 10.7270/Q2DZ07ND
More data for this
Ligand-Target Pair
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