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Compile Data Set for Download or QSAR

Found 348 hits with Last Name = 'rachwal' and Initial = 's'   
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
Dopamine receptors; D2 & D4


(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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1.60n/an/an/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Binding affinity towards human Dopamine Receptor D4 was determined via standard competitive displacement assays using [3H]-YM 09151 as radioligand


Bioorg Med Chem Lett 12: 3105-9 (2002)


BindingDB Entry DOI: 10.7270/Q2JM2908
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(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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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)


BindingDB Entry DOI: 10.7270/Q2B56J44
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50119934
PNG
(1-(2-Methyl-2,3-dihydro-indol-1-yl)-2-[1-(4-nitro-...)
Show SMILES CC1Cc2ccccc2N1C(=O)CC1CCN(Cc2ccc(cc2)[N+]([O-])=O)CC1
Show InChI InChI=1S/C23H27N3O3/c1-17-14-20-4-2-3-5-22(20)25(17)23(27)15-18-10-12-24(13-11-18)16-19-6-8-21(9-7-19)26(28)29/h2-9,17-18H,10-16H2,1H3
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2n/an/an/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Binding affinity towards human dopamine D4 receptor was determined via standard competitive displacement assays using [3H]-YM 09151 as radioligand


Bioorg Med Chem Lett 12: 3105-9 (2002)


BindingDB Entry DOI: 10.7270/Q2JM2908
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50119898
PNG
(2-[1-(4-Methyl-benzyl)-piperidin-4-yl]-1-(2-methyl...)
Show SMILES CC1Cc2ccccc2N1C(=O)CC1CCN(Cc2ccc(C)cc2)CC1
Show InChI InChI=1S/C24H30N2O/c1-18-7-9-21(10-8-18)17-25-13-11-20(12-14-25)16-24(27)26-19(2)15-22-5-3-4-6-23(22)26/h3-10,19-20H,11-17H2,1-2H3
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2n/an/an/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Binding affinity towards human dopamine D4 receptor was determined via standard competitive displacement assays using [3H]-YM 09151 as radioligand


Bioorg Med Chem Lett 12: 3105-9 (2002)


BindingDB Entry DOI: 10.7270/Q2JM2908
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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2n/an/an/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Antagonism of dopamine-stimulated [35S]GTP-gamma-S binding against human Dopamine receptor D4 in CHO cells


J Med Chem 43: 3923-32 (2000)


BindingDB Entry DOI: 10.7270/Q2HM595B
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50119932
PNG
(3-{2-[4-(4-Chloro-benzyl)-piperazin-1-yl]-ethyl}-3...)
Show SMILES Clc1ccc(CN2CCN(CCn3c4ccccc4sc3=O)CC2)cc1
Show InChI InChI=1S/C20H22ClN3OS/c21-17-7-5-16(6-8-17)15-23-11-9-22(10-12-23)13-14-24-18-3-1-2-4-19(18)26-20(24)25/h1-8H,9-15H2
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3n/an/an/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Binding affinity towards human dopamine D4 receptor was determined via standard competitive displacement assays using [3H]-YM 09151 as radioligand


Bioorg Med Chem Lett 12: 3105-9 (2002)


BindingDB Entry DOI: 10.7270/Q2JM2908
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50119908
PNG
(2-[1-(3-Fluoro-4-methyl-benzyl)-piperidin-4-yl]-1-...)
Show SMILES CC1Cc2ccccc2N1C(=O)CC1CCN(Cc2ccc(C)c(F)c2)CC1
Show InChI InChI=1S/C24H29FN2O/c1-17-7-8-20(14-22(17)25)16-26-11-9-19(10-12-26)15-24(28)27-18(2)13-21-5-3-4-6-23(21)27/h3-8,14,18-19H,9-13,15-16H2,1-2H3
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3n/an/an/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Binding affinity towards human dopamine D4 receptor was determined via standard competitive displacement assays using [3H]-YM 09151 as radioligand


Bioorg Med Chem Lett 12: 3105-9 (2002)


BindingDB Entry DOI: 10.7270/Q2JM2908
More data for this
Ligand-Target Pair
Dopamine receptor


(Homo sapiens (Human))
BDBM50119892
PNG
(2-[4-(4-Methyl-benzyl)-piperazin-1-yl]-1-(2-methyl...)
Show SMILES CC1Cc2ccccc2N1C(=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
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3n/an/an/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL




Bioorg Med Chem Lett 12: 3105-9 (2002)


BindingDB Entry DOI: 10.7270/Q2JM2908
More data for this
Ligand-Target Pair
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=1S/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




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


BindingDB Entry DOI: 10.7270/Q2B56J44
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50119894
PNG
(2-[1-(3,4-Dimethyl-benzyl)-piperidin-4-yl]-1-(2-me...)
Show SMILES CC1Cc2ccccc2N1C(=O)CC1CCN(Cc2ccc(C)c(C)c2)CC1
Show InChI InChI=1S/C25H32N2O/c1-18-8-9-22(14-19(18)2)17-26-12-10-21(11-13-26)16-25(28)27-20(3)15-23-6-4-5-7-24(23)27/h4-9,14,20-21H,10-13,15-17H2,1-3H3
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4n/an/an/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Binding affinity towards human Dopamine Receptor D4 was determined via standard competitive displacement assays using [3H]-YM 09151 as radioligand


Bioorg Med Chem Lett 12: 3105-9 (2002)


BindingDB Entry DOI: 10.7270/Q2JM2908
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(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=1S/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)


BindingDB Entry DOI: 10.7270/Q2B56J44
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(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=1S/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)


BindingDB Entry DOI: 10.7270/Q2B56J44
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50119929
PNG
(2-[1-(3-Chloro-benzyl)-piperidin-4-yl]-1-(2-methyl...)
Show SMILES CC1Cc2ccccc2N1C(=O)CC1CCN(Cc2cccc(Cl)c2)CC1
Show InChI InChI=1S/C23H27ClN2O/c1-17-13-20-6-2-3-8-22(20)26(17)23(27)15-18-9-11-25(12-10-18)16-19-5-4-7-21(24)14-19/h2-8,14,17-18H,9-13,15-16H2,1H3
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4n/an/an/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Binding affinity towards human dopamine D4 receptor was determined via standard competitive displacement assays using [3H]-YM 09151 as radioligand


Bioorg Med Chem Lett 12: 3105-9 (2002)


BindingDB Entry DOI: 10.7270/Q2JM2908
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 |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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4n/an/an/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL




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


BindingDB Entry DOI: 10.7270/Q2B56J44
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50119926
PNG
(2-[1-(4-Chloro-benzyl)-piperidin-4-yl]-1-(2-methyl...)
Show SMILES CC1Cc2ccccc2N1C(=O)CC1CCN(Cc2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C23H27ClN2O/c1-17-14-20-4-2-3-5-22(20)26(17)23(27)15-18-10-12-25(13-11-18)16-19-6-8-21(24)9-7-19/h2-9,17-18H,10-16H2,1H3
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4n/an/an/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Binding affinity towards human dopamine D4 receptor was determined via standard competitive displacement assays using [3H]-YM 09151 as radioligand


Bioorg Med Chem Lett 12: 3105-9 (2002)


BindingDB Entry DOI: 10.7270/Q2JM2908
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50119888
PNG
(2-[4-(4-Chloro-benzyl)-piperazin-1-yl]-1-(2,2-dime...)
Show SMILES CC1(C)Cc2ccccc2N1C(=O)CN1CCN(Cc2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C23H28ClN3O/c1-23(2)15-19-5-3-4-6-21(19)27(23)22(28)17-26-13-11-25(12-14-26)16-18-7-9-20(24)10-8-18/h3-10H,11-17H2,1-2H3
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4.30n/an/an/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Binding affinity towards human Dopamine Receptor D4 was determined via standard competitive displacement assays using [3H]-YM 09151 as radioligand


Bioorg Med Chem Lett 12: 3105-9 (2002)


BindingDB Entry DOI: 10.7270/Q2JM2908
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50119945
PNG
(2-[1-(3-Methyl-benzyl)-piperidin-4-yl]-1-(2-methyl...)
Show SMILES CC1Cc2ccccc2N1C(=O)CC1CCN(Cc2cccc(C)c2)CC1
Show InChI InChI=1S/C24H30N2O/c1-18-6-5-7-21(14-18)17-25-12-10-20(11-13-25)16-24(27)26-19(2)15-22-8-3-4-9-23(22)26/h3-9,14,19-20H,10-13,15-17H2,1-2H3
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5n/an/an/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Binding affinity towards human dopamine D4 receptor was determined via standard competitive displacement assays using [3H]-YM 09151 as radioligand


Bioorg Med Chem Lett 12: 3105-9 (2002)


BindingDB Entry DOI: 10.7270/Q2JM2908
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(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=1S/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)


BindingDB Entry DOI: 10.7270/Q2B56J44
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50119920
PNG
(1-(2-Methyl-2,3-dihydro-indol-1-yl)-2-[4-(4-triflu...)
Show SMILES CC1Cc2ccccc2N1C(=O)CN1CCN(Cc2ccc(OC(F)(F)F)cc2)CC1
Show InChI InChI=1S/C23H26F3N3O2/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)31-23(24,25)26/h2-9,17H,10-16H2,1H3
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5n/an/an/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Binding affinity towards human dopamine D4 receptor was determined via standard competitive displacement assays using [3H]-YM 09151 as radioligand


Bioorg Med Chem Lett 12: 3105-9 (2002)


BindingDB Entry DOI: 10.7270/Q2JM2908
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50119911
PNG
(2-[4-(4-Chloro-benzyl)-piperazin-1-yl]-1-(2-methyl...)
Show SMILES CC1Cc2ccccc2N1C(=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
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5.40n/an/an/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Dopamine Receptor D4 functional activity was assessed via inhibition of quinpirole stimulated [35S]-GTP-gammaS binding from cell membranes.


Bioorg Med Chem Lett 12: 3105-9 (2002)


BindingDB Entry DOI: 10.7270/Q2JM2908
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50119925
PNG
(2-[4-(4-Ethyl-benzyl)-piperazin-1-yl]-1-(2-methyl-...)
Show SMILES CCc1ccc(CN2CCN(CC(=O)N3C(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
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6n/an/an/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Binding affinity towards human dopamine D4 receptor was determined via standard competitive displacement assays using [3H]-YM 09151 as radioligand


Bioorg Med Chem Lett 12: 3105-9 (2002)


BindingDB Entry DOI: 10.7270/Q2JM2908
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50119910
PNG
(2-[1-(4-Fluoro-benzyl)-piperidin-4-yl]-1-(2-methyl...)
Show SMILES CC1Cc2ccccc2N1C(=O)CC1CCN(Cc2ccc(F)cc2)CC1
Show InChI InChI=1S/C23H27FN2O/c1-17-14-20-4-2-3-5-22(20)26(17)23(27)15-18-10-12-25(13-11-18)16-19-6-8-21(24)9-7-19/h2-9,17-18H,10-16H2,1H3
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6n/an/an/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Binding affinity towards human dopamine D4 receptor was determined via standard competitive displacement assays using [3H]-YM 09151 as radioligand


Bioorg Med Chem Lett 12: 3105-9 (2002)


BindingDB Entry DOI: 10.7270/Q2JM2908
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50119951
PNG
(1-(2-Methyl-2,3-dihydro-indol-1-yl)-2-[4-(3-triflu...)
Show SMILES CC1Cc2ccccc2N1C(=O)CN1CCN(Cc2cccc(OC(F)(F)F)c2)CC1
Show InChI InChI=1S/C23H26F3N3O2/c1-17-13-19-6-2-3-8-21(19)29(17)22(30)16-28-11-9-27(10-12-28)15-18-5-4-7-20(14-18)31-23(24,25)26/h2-8,14,17H,9-13,15-16H2,1H3
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6n/an/an/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Binding affinity towards human dopamine D4 receptor was determined via standard competitive displacement assays using [3H]-YM 09151 as radioligand


Bioorg Med Chem Lett 12: 3105-9 (2002)


BindingDB Entry DOI: 10.7270/Q2JM2908
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50119947
PNG
(2-[4-(4-Chloro-benzyl)-piperazin-1-yl]-1-(2-ethyl-...)
Show SMILES CCC1Cc2ccccc2N1C(=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
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6n/an/an/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Binding affinity towards human Dopamine Receptor D4 was determined via standard competitive displacement assays using [3H]-YM 09151 as radioligand


Bioorg Med Chem Lett 12: 3105-9 (2002)


BindingDB Entry DOI: 10.7270/Q2JM2908
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50119892
PNG
(2-[4-(4-Methyl-benzyl)-piperazin-1-yl]-1-(2-methyl...)
Show SMILES CC1Cc2ccccc2N1C(=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
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7n/an/an/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Binding affinity towards human dopamine D4 receptor was determined via standard competitive displacement assays using [3H]-YM 09151 as radioligand


Bioorg Med Chem Lett 12: 3105-9 (2002)


BindingDB Entry DOI: 10.7270/Q2JM2908
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50119922
PNG
(2-[4-(4-Chloro-benzyl)-piperazin-1-yl]-1-((2R,3R)-...)
Show SMILES C[C@@H]1[C@H](C)c2ccccc2N1C(=O)CN1CCN(Cc2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C23H28ClN3O/c1-17-18(2)27(22-6-4-3-5-21(17)22)23(28)16-26-13-11-25(12-14-26)15-19-7-9-20(24)10-8-19/h3-10,17-18H,11-16H2,1-2H3/t17-,18+/m0/s1
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7n/an/an/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Binding affinity towards human Dopamine Receptor D4 was determined via standard competitive displacement assays using [3H]-YM 09151 as radioligand


Bioorg Med Chem Lett 12: 3105-9 (2002)


BindingDB Entry DOI: 10.7270/Q2JM2908
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50119883
PNG
(1-{2-[4-(4-Chloro-benzyl)-piperazin-1-yl]-ethyl}-1...)
Show SMILES Clc1ccc(CN2CCN(CCN3c4ccccc4CS3(=O)=O)CC2)cc1
Show InChI InChI=1S/C20H24ClN3O2S/c21-19-7-5-17(6-8-19)15-23-11-9-22(10-12-23)13-14-24-20-4-2-1-3-18(20)16-27(24,25)26/h1-8H,9-16H2
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7n/an/an/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Binding affinity towards human dopamine D4 receptor was determined via standard competitive displacement assays using [3H]-YM 09151 as radioligand


Bioorg Med Chem Lett 12: 3105-9 (2002)


BindingDB Entry DOI: 10.7270/Q2JM2908
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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7n/an/an/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Antagonism of dopamine-stimulated [35S]GTP-gamma-S binding against human Dopamine receptor D2 in CHO cells


J Med Chem 43: 3923-32 (2000)


BindingDB Entry DOI: 10.7270/Q2HM595B
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50119927
PNG
(2-[1-(3-Fluoro-benzyl)-piperidin-4-yl]-1-(2-methyl...)
Show SMILES CC1Cc2ccccc2N1C(=O)CC1CCN(Cc2cccc(F)c2)CC1
Show InChI InChI=1S/C23H27FN2O/c1-17-13-20-6-2-3-8-22(20)26(17)23(27)15-18-9-11-25(12-10-18)16-19-5-4-7-21(24)14-19/h2-8,14,17-18H,9-13,15-16H2,1H3
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7n/an/an/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Binding affinity towards human dopamine D4 receptor was determined via standard competitive displacement assays using [3H]-YM 09151 as radioligand


Bioorg Med Chem Lett 12: 3105-9 (2002)


BindingDB Entry DOI: 10.7270/Q2JM2908
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50119889
PNG
(2-[4-(2-Methyl-benzyl)-piperazin-1-yl]-1-(2-methyl...)
Show SMILES CC1Cc2ccccc2N1C(=O)CN1CCN(Cc2ccccc2C)CC1
Show InChI InChI=1S/C23H29N3O/c1-18-7-3-4-9-21(18)16-24-11-13-25(14-12-24)17-23(27)26-19(2)15-20-8-5-6-10-22(20)26/h3-10,19H,11-17H2,1-2H3
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7n/an/an/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Binding affinity towards human dopamine D4 receptor was determined via standard competitive displacement assays using [3H]-YM 09151 as radioligand


Bioorg Med Chem Lett 12: 3105-9 (2002)


BindingDB Entry DOI: 10.7270/Q2JM2908
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50119949
PNG
(2-[4-(4-Fluoro-benzyl)-piperazin-1-yl]-1-(2-methyl...)
Show SMILES CC1Cc2ccccc2N1C(=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
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7n/an/an/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Binding affinity towards human dopamine D4 receptor was determined via standard competitive displacement assays using [3H]-YM 09151 as radioligand


Bioorg Med Chem Lett 12: 3105-9 (2002)


BindingDB Entry DOI: 10.7270/Q2JM2908
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50119924
PNG
(2-[4-(2,5-Dimethyl-benzyl)-piperazin-1-yl]-1-(2-me...)
Show SMILES CC1Cc2ccccc2N1C(=O)CN1CCN(Cc2cc(C)ccc2C)CC1
Show InChI InChI=1S/C24H31N3O/c1-18-8-9-19(2)22(14-18)16-25-10-12-26(13-11-25)17-24(28)27-20(3)15-21-6-4-5-7-23(21)27/h4-9,14,20H,10-13,15-17H2,1-3H3
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8n/an/an/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Binding affinity towards human dopamine D4 receptor was determined via standard competitive displacement assays using [3H]-YM 09151 as radioligand


Bioorg Med Chem Lett 12: 3105-9 (2002)


BindingDB Entry DOI: 10.7270/Q2JM2908
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50119906
PNG
(1-{2-[4-(4-Chloro-benzyl)-piperazin-1-yl]-ethyl}-1...)
Show SMILES Clc1ccc(CN2CCN(CCN3C(=O)Cc4ccccc34)CC2)cc1
Show InChI InChI=1S/C21H24ClN3O/c22-19-7-5-17(6-8-19)16-24-11-9-23(10-12-24)13-14-25-20-4-2-1-3-18(20)15-21(25)26/h1-8H,9-16H2
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8n/an/an/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Binding affinity towards human dopamine D4 receptor was determined via standard competitive displacement assays using [3H]-YM 09151 as radioligand


Bioorg Med Chem Lett 12: 3105-9 (2002)


BindingDB Entry DOI: 10.7270/Q2JM2908
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(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=1S/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)


BindingDB Entry DOI: 10.7270/Q2B56J44
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(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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9n/an/an/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Binding affinity towards human dopamine D4 receptor was determined via standard competitive displacement assays using [3H]-YM 09151 as radioligand


Bioorg Med Chem Lett 12: 3105-9 (2002)


BindingDB Entry DOI: 10.7270/Q2JM2908
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50119911
PNG
(2-[4-(4-Chloro-benzyl)-piperazin-1-yl]-1-(2-methyl...)
Show SMILES CC1Cc2ccccc2N1C(=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
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9n/an/an/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL




Bioorg Med Chem Lett 12: 3105-9 (2002)


BindingDB Entry DOI: 10.7270/Q2JM2908
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50119958
PNG
(2-[1-(4-Methoxy-benzyl)-piperidin-4-yl]-1-(2-methy...)
Show SMILES COc1ccc(CN2CCC(CC(=O)N3C(C)Cc4ccccc34)CC2)cc1
Show InChI InChI=1S/C24H30N2O2/c1-18-15-21-5-3-4-6-23(21)26(18)24(27)16-19-11-13-25(14-12-19)17-20-7-9-22(28-2)10-8-20/h3-10,18-19H,11-17H2,1-2H3
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10n/an/an/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Binding affinity towards human dopamine D4 receptor was determined via standard competitive displacement assays using [3H]-YM 09151 as radioligand


Bioorg Med Chem Lett 12: 3105-9 (2002)


BindingDB Entry DOI: 10.7270/Q2JM2908
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(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=1S/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)


BindingDB Entry DOI: 10.7270/Q2B56J44
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50119916
PNG
(1-(2-Methyl-2,3-dihydro-indol-1-yl)-2-[4-(4-triflu...)
Show SMILES CC1Cc2ccccc2N1C(=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
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11n/an/an/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Binding affinity towards human dopamine D4 receptor was determined via standard competitive displacement assays using [3H]-YM 09151 as radioligand


Bioorg Med Chem Lett 12: 3105-9 (2002)


BindingDB Entry DOI: 10.7270/Q2JM2908
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(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=1S/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)


BindingDB Entry DOI: 10.7270/Q2B56J44
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50119921
PNG
(2-[4-(3,5-Difluoro-benzyl)-piperazin-1-yl]-1-(2-me...)
Show SMILES CC1Cc2ccccc2N1C(=O)CN1CCN(Cc2cc(F)cc(F)c2)CC1
Show InChI InChI=1S/C22H25F2N3O/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
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12n/an/an/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Binding affinity towards human dopamine D4 receptor was determined via standard competitive displacement assays using [3H]-YM 09151 as radioligand


Bioorg Med Chem Lett 12: 3105-9 (2002)


BindingDB Entry DOI: 10.7270/Q2JM2908
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50119919
PNG
(2-[4-(4-tert-Butyl-benzyl)-piperazin-1-yl]-1-(2-me...)
Show SMILES CC1Cc2ccccc2N1C(=O)CN1CCN(Cc2ccc(cc2)C(C)(C)C)CC1
Show InChI InChI=1S/C26H35N3O/c1-20-17-22-7-5-6-8-24(22)29(20)25(30)19-28-15-13-27(14-16-28)18-21-9-11-23(12-10-21)26(2,3)4/h5-12,20H,13-19H2,1-4H3
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12n/an/an/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Binding affinity towards human dopamine D4 receptor was determined via standard competitive displacement assays using [3H]-YM 09151 as radioligand


Bioorg Med Chem Lett 12: 3105-9 (2002)


BindingDB Entry DOI: 10.7270/Q2JM2908
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50119899
PNG
(2-[4-(4-Isopropyl-benzyl)-piperazin-1-yl]-1-(2-met...)
Show SMILES CC(C)c1ccc(CN2CCN(CC(=O)N3C(C)Cc4ccccc34)CC2)cc1
Show InChI InChI=1S/C25H33N3O/c1-19(2)22-10-8-21(9-11-22)17-26-12-14-27(15-13-26)18-25(29)28-20(3)16-23-6-4-5-7-24(23)28/h4-11,19-20H,12-18H2,1-3H3
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12n/an/an/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Binding affinity towards human dopamine D4 receptor was determined via standard competitive displacement assays using [3H]-YM 09151 as radioligand


Bioorg Med Chem Lett 12: 3105-9 (2002)


BindingDB Entry DOI: 10.7270/Q2JM2908
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50119933
PNG
(1-{3-[4-(4-Chloro-benzyl)-piperazin-1-yl]-propyl}-...)
Show SMILES Clc1ccc(CN2CCN(CCCN3c4ccccc4CS3(=O)=O)CC2)cc1
Show InChI InChI=1S/C21H26ClN3O2S/c22-20-8-6-18(7-9-20)16-24-14-12-23(13-15-24)10-3-11-25-21-5-2-1-4-19(21)17-28(25,26)27/h1-2,4-9H,3,10-17H2
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13n/an/an/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Binding affinity towards human dopamine D4 receptor was determined via standard competitive displacement assays using [3H]-YM 09151 as radioligand


Bioorg Med Chem Lett 12: 3105-9 (2002)


BindingDB Entry DOI: 10.7270/Q2JM2908
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50369659
PNG
(CHEMBL1202208)
Show SMILES Cc1ccc(N2CCN(C[C@@H]3C[C@H]3c3ccccc3)CC2)c(C)c1 |r|
Show InChI InChI=1S/C22H28N2/c1-17-8-9-22(18(2)14-17)24-12-10-23(11-13-24)16-20-15-21(20)19-6-4-3-5-7-19/h3-9,14,20-21H,10-13,15-16H2,1-2H3/t20-,21-/m0/s1
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13n/an/an/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Antagonism of dopamine-stimulated [35S]GTP-gamma-S binding against human Dopamine receptor D4 in CHO cells


J Med Chem 43: 3923-32 (2000)


BindingDB Entry DOI: 10.7270/Q2HM595B
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50119957
PNG
(2-[4-(4-Chloro-benzyl)-piperazin-1-yl]-1-(2,3-dihy...)
Show SMILES Clc1ccc(CN2CCN(CC(=O)N3CCSc4ccccc34)CC2)cc1
Show InChI InChI=1S/C21H24ClN3OS/c22-18-7-5-17(6-8-18)15-23-9-11-24(12-10-23)16-21(26)25-13-14-27-20-4-2-1-3-19(20)25/h1-8H,9-16H2
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14n/an/an/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Binding affinity towards human dopamine D4 receptor was determined via standard competitive displacement assays using [3H]-YM 09151 as radioligand


Bioorg Med Chem Lett 12: 3105-9 (2002)


BindingDB Entry DOI: 10.7270/Q2JM2908
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50119902
PNG
(2-[(R)-4-(4-Chloro-benzyl)-2-methyl-piperazin-1-yl...)
Show SMILES C[C@@H]1CN(Cc2ccc(Cl)cc2)CCN1CC(=O)N1CCc2ccccc12
Show InChI InChI=1S/C22H26ClN3O/c1-17-14-24(15-18-6-8-20(23)9-7-18)12-13-25(17)16-22(27)26-11-10-19-4-2-3-5-21(19)26/h2-9,17H,10-16H2,1H3/t17-/m1/s1
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14n/an/an/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Binding affinity towards human dopamine D4 receptor was determined via standard competitive displacement assays using [3H]-YM 09151 as radioligand


Bioorg Med Chem Lett 12: 3105-9 (2002)


BindingDB Entry DOI: 10.7270/Q2JM2908
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50119960
PNG
(2-[4-(4-Methoxy-benzyl)-piperazin-1-yl]-1-(2-methy...)
Show SMILES COc1ccc(CN2CCN(CC(=O)N3C(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
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15n/an/an/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Binding affinity towards human dopamine D4 receptor was determined via standard competitive displacement assays using [3H]-YM 09151 as radioligand


Bioorg Med Chem Lett 12: 3105-9 (2002)


BindingDB Entry DOI: 10.7270/Q2JM2908
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50119891
PNG
(2-[4-(3,5-Dichloro-benzyl)-piperazin-1-yl]-1-(2-me...)
Show SMILES CC1Cc2ccccc2N1C(=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
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15n/an/an/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Binding affinity towards human dopamine D4 receptor was determined via standard competitive displacement assays using [3H]-YM 09151 as radioligand


Bioorg Med Chem Lett 12: 3105-9 (2002)


BindingDB Entry DOI: 10.7270/Q2JM2908
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(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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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)


BindingDB Entry DOI: 10.7270/Q2B56J44
More data for this
Ligand-Target Pair
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