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Compile Data Set for Download or QSAR

Found 158 hits with Last Name = 'braun' and Initial = 'j'   
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(3) dopamine receptor


(Homo sapiens (Human))
BDBM50071958
PNG
(Biphenylene-2-carboxylic acid {4-[4-(2,3-dichloro-...)
Show SMILES Clc1cccc(N2CCN(CCCCNC(=O)c3ccc4-c5ccccc5-c4c3)CC2)c1Cl
Show InChI InChI=1S/C27H27Cl2N3O/c28-24-8-5-9-25(26(24)29)32-16-14-31(15-17-32)13-4-3-12-30-27(33)19-10-11-22-20-6-1-2-7-21(20)23(22)18-19/h1-2,5-11,18H,3-4,12-17H2,(H,30,33)
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0.900n/an/an/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Compound was evaluated for binding affinity against human Dopamine receptor D3 transfected in CHO cell membranes to stimulate [3H]-thymidine uptake


Bioorg Med Chem Lett 8: 2715-8 (1999)


BindingDB Entry DOI: 10.7270/Q200018M
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50071959
PNG
(9H-Fluorene-2-carboxylic acid {4-[4-(2,3-dichloro-...)
Show SMILES Clc1cccc(N2CCN(CCCCNC(=O)c3ccc-4c(Cc5ccccc-45)c3)CC2)c1Cl
Show InChI InChI=1S/C28H29Cl2N3O/c29-25-8-5-9-26(27(25)30)33-16-14-32(15-17-33)13-4-3-12-31-28(34)21-10-11-24-22(19-21)18-20-6-1-2-7-23(20)24/h1-2,5-11,19H,3-4,12-18H2,(H,31,34)
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1.40n/an/an/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Compound was evaluated for binding affinity against human Dopamine receptor D3 transfected in CHO cell membranes to stimulate [3H]-thymidine uptake


Bioorg Med Chem Lett 8: 2715-8 (1999)


BindingDB Entry DOI: 10.7270/Q200018M
More data for this
Ligand-Target Pair
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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1.60n/an/an/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Binding affinity at human Dopamine receptor D4 by [3H]- YM 09151 displacement.


Bioorg Med Chem Lett 10: 2119-22 (2000)


BindingDB Entry DOI: 10.7270/Q2SN0869
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=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
Binding affinity at human Dopamine receptor D4 by [3H]- YM 09151 displacement.


Bioorg Med Chem Lett 10: 2119-22 (2000)


BindingDB Entry DOI: 10.7270/Q2SN0869
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50092051
PNG
(3-[4-(4-Chloro-benzyl)-piperazin-1-yl]-1-methyl-3,...)
Show SMILES CN1C(=O)C(Cc2ccccc12)N1CCN(Cc2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C21H24ClN3O/c1-23-19-5-3-2-4-17(19)14-20(21(23)26)25-12-10-24(11-13-25)15-16-6-8-18(22)9-7-16/h2-9,20H,10-15H2,1H3
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4n/an/an/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Binding affinity at human Dopamine receptor D4 by [3H]- YM 09151 displacement.


Bioorg Med Chem Lett 10: 2119-22 (2000)


BindingDB Entry DOI: 10.7270/Q2SN0869
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50092043
PNG
(1-(2,4-Dichloro-phenyl)-4-((1S,2S)-2-phenyl-cyclop...)
Show SMILES Clc1ccc(N2CCN(C[C@H]3C[C@@H]3c3ccccc3)CC2)c(Cl)c1
Show InChI InChI=1S/C20H22Cl2N2/c21-17-6-7-20(19(22)13-17)24-10-8-23(9-11-24)14-16-12-18(16)15-4-2-1-3-5-15/h1-7,13,16,18H,8-12,14H2/t16-,18-/m1/s1
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5n/an/an/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Binding affinity at human Dopamine receptor D4 by [3H]- YM 09151 displacement.


Bioorg Med Chem Lett 10: 2119-22 (2000)


BindingDB Entry DOI: 10.7270/Q2SN0869
More data for this
Ligand-Target Pair
D(4) dopamine receptor


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



Neurogen Corporation

Curated by ChEMBL


Assay Description
Binding affinity at human Dopamine receptor D4 by [3H]- YM 09151 displacement.


Bioorg Med Chem Lett 10: 2119-22 (2000)


BindingDB Entry DOI: 10.7270/Q2SN0869
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=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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21n/an/an/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Binding affinity at human Dopamine receptor D2 by [3H]- YM 09151 displacement.


Bioorg Med Chem Lett 10: 2119-22 (2000)


BindingDB Entry DOI: 10.7270/Q2SN0869
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50092040
PNG
(2-[4-(4-Chloro-benzyl)-piperazin-1-yl]-N-methyl-N-...)
Show SMILES CN(C(=O)CN1CCN(Cc2ccc(Cl)cc2)CC1)c1ccccc1
Show InChI InChI=1S/C20H24ClN3O/c1-22(19-5-3-2-4-6-19)20(25)16-24-13-11-23(12-14-24)15-17-7-9-18(21)10-8-17/h2-10H,11-16H2,1H3
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59n/an/an/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Binding affinity at human Dopamine receptor D4 by [3H]- YM 09151 displacement.


Bioorg Med Chem Lett 10: 2119-22 (2000)


BindingDB Entry DOI: 10.7270/Q2SN0869
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50071960
PNG
(4-Bromo-1-methoxy-naphthalene-2-carboxylic acid {2...)
Show SMILES COc1c(cc(Br)c2ccccc12)C(=O)NCCN1CCN(CC1)c1cccc(Cl)c1Cl
Show InChI InChI=1S/C24H24BrCl2N3O2/c1-32-23-17-6-3-2-5-16(17)19(25)15-18(23)24(31)28-9-10-29-11-13-30(14-12-29)21-8-4-7-20(26)22(21)27/h2-8,15H,9-14H2,1H3,(H,28,31)
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65n/an/an/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Affinity of the compound against D4 receptor was evaluated


Bioorg Med Chem Lett 8: 2715-8 (1999)


BindingDB Entry DOI: 10.7270/Q200018M
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50092043
PNG
(1-(2,4-Dichloro-phenyl)-4-((1S,2S)-2-phenyl-cyclop...)
Show SMILES Clc1ccc(N2CCN(C[C@H]3C[C@@H]3c3ccccc3)CC2)c(Cl)c1
Show InChI InChI=1S/C20H22Cl2N2/c21-17-6-7-20(19(22)13-17)24-10-8-23(9-11-24)14-16-12-18(16)15-4-2-1-3-5-15/h1-7,13,16,18H,8-12,14H2/t16-,18-/m1/s1
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93n/an/an/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Binding affinity at human Dopamine receptor D2 by [3H]- YM 09151 displacement.


Bioorg Med Chem Lett 10: 2119-22 (2000)


BindingDB Entry DOI: 10.7270/Q2SN0869
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50092042
PNG
(3-[4-(4-Chloro-benzyl)-piperazin-1-yl]-3,4-dihydro...)
Show SMILES Clc1ccc(CN2CCN(CC2)C2Cc3ccccc3NC2=O)cc1
Show InChI InChI=1S/C20H22ClN3O/c21-17-7-5-15(6-8-17)14-23-9-11-24(12-10-23)19-13-16-3-1-2-4-18(16)22-20(19)25/h1-8,19H,9-14H2,(H,22,25)
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100n/an/an/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Binding affinity at human Dopamine receptor D4 by [3H]- YM 09151 displacement.


Bioorg Med Chem Lett 10: 2119-22 (2000)


BindingDB Entry DOI: 10.7270/Q2SN0869
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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113n/an/an/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Binding affinity at human Dopamine receptor D2 by [3H]- YM 09151 displacement.


Bioorg Med Chem Lett 10: 2119-22 (2000)


BindingDB Entry DOI: 10.7270/Q2SN0869
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50071958
PNG
(Biphenylene-2-carboxylic acid {4-[4-(2,3-dichloro-...)
Show SMILES Clc1cccc(N2CCN(CCCCNC(=O)c3ccc4-c5ccccc5-c4c3)CC2)c1Cl
Show InChI InChI=1S/C27H27Cl2N3O/c28-24-8-5-9-25(26(24)29)32-16-14-31(15-17-32)13-4-3-12-30-27(33)19-10-11-22-20-6-1-2-7-21(20)23(22)18-19/h1-2,5-11,18H,3-4,12-17H2,(H,30,33)
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125n/an/an/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL




Bioorg Med Chem Lett 8: 2715-8 (1999)


BindingDB Entry DOI: 10.7270/Q200018M
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50092051
PNG
(3-[4-(4-Chloro-benzyl)-piperazin-1-yl]-1-methyl-3,...)
Show SMILES CN1C(=O)C(Cc2ccccc12)N1CCN(Cc2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C21H24ClN3O/c1-23-19-5-3-2-4-17(19)14-20(21(23)26)25-12-10-24(11-13-25)15-16-6-8-18(22)9-7-16/h2-9,20H,10-15H2,1H3
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133n/an/an/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Binding affinity at human Dopamine receptor D2 by [3H]- YM 09151 displacement.


Bioorg Med Chem Lett 10: 2119-22 (2000)


BindingDB Entry DOI: 10.7270/Q2SN0869
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50071959
PNG
(9H-Fluorene-2-carboxylic acid {4-[4-(2,3-dichloro-...)
Show SMILES Clc1cccc(N2CCN(CCCCNC(=O)c3ccc-4c(Cc5ccccc-45)c3)CC2)c1Cl
Show InChI InChI=1S/C28H29Cl2N3O/c29-25-8-5-9-26(27(25)30)33-16-14-32(15-17-33)13-4-3-12-31-28(34)21-10-11-24-22(19-21)18-20-6-1-2-7-23(20)24/h1-2,5-11,19H,3-4,12-18H2,(H,31,34)
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217n/an/an/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Compound was evaluated for binding affinity against Dopamine receptor D2 subtype from primate


Bioorg Med Chem Lett 8: 2715-8 (1999)


BindingDB Entry DOI: 10.7270/Q200018M
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50071959
PNG
(9H-Fluorene-2-carboxylic acid {4-[4-(2,3-dichloro-...)
Show SMILES Clc1cccc(N2CCN(CCCCNC(=O)c3ccc-4c(Cc5ccccc-45)c3)CC2)c1Cl
Show InChI InChI=1S/C28H29Cl2N3O/c29-25-8-5-9-26(27(25)30)33-16-14-32(15-17-33)13-4-3-12-31-28(34)21-10-11-24-22(19-21)18-20-6-1-2-7-23(20)24/h1-2,5-11,19H,3-4,12-18H2,(H,31,34)
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223n/an/an/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL




Bioorg Med Chem Lett 8: 2715-8 (1999)


BindingDB Entry DOI: 10.7270/Q200018M
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50071958
PNG
(Biphenylene-2-carboxylic acid {4-[4-(2,3-dichloro-...)
Show SMILES Clc1cccc(N2CCN(CCCCNC(=O)c3ccc4-c5ccccc5-c4c3)CC2)c1Cl
Show InChI InChI=1S/C27H27Cl2N3O/c28-24-8-5-9-25(26(24)29)32-16-14-31(15-17-32)13-4-3-12-30-27(33)19-10-11-22-20-6-1-2-7-21(20)23(22)18-19/h1-2,5-11,18H,3-4,12-17H2,(H,30,33)
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262n/an/an/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Compound was evaluated for binding affinity against Dopamine receptor D2 subtype from primate


Bioorg Med Chem Lett 8: 2715-8 (1999)


BindingDB Entry DOI: 10.7270/Q200018M
More data for this
Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50071958
PNG
(Biphenylene-2-carboxylic acid {4-[4-(2,3-dichloro-...)
Show SMILES Clc1cccc(N2CCN(CCCCNC(=O)c3ccc4-c5ccccc5-c4c3)CC2)c1Cl
Show InChI InChI=1S/C27H27Cl2N3O/c28-24-8-5-9-25(26(24)29)32-16-14-31(15-17-32)13-4-3-12-30-27(33)19-10-11-22-20-6-1-2-7-21(20)23(22)18-19/h1-2,5-11,18H,3-4,12-17H2,(H,30,33)
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547n/an/an/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL




Bioorg Med Chem Lett 8: 2715-8 (1999)


BindingDB Entry DOI: 10.7270/Q200018M
More data for this
Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50071959
PNG
(9H-Fluorene-2-carboxylic acid {4-[4-(2,3-dichloro-...)
Show SMILES Clc1cccc(N2CCN(CCCCNC(=O)c3ccc-4c(Cc5ccccc-45)c3)CC2)c1Cl
Show InChI InChI=1S/C28H29Cl2N3O/c29-25-8-5-9-26(27(25)30)33-16-14-32(15-17-33)13-4-3-12-31-28(34)21-10-11-24-22(19-21)18-20-6-1-2-7-23(20)24/h1-2,5-11,19H,3-4,12-18H2,(H,31,34)
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642n/an/an/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL




Bioorg Med Chem Lett 8: 2715-8 (1999)


BindingDB Entry DOI: 10.7270/Q200018M
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
Binding affinity at human Dopamine receptor D2 by [3H]- YM 09151 displacement.


Bioorg Med Chem Lett 10: 2119-22 (2000)


BindingDB Entry DOI: 10.7270/Q2SN0869
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50092047
PNG
(3-[4-(4-Chloro-benzyl)-piperazin-1-yl]-1,3,4,5-tet...)
Show SMILES Clc1ccc(CN2CCN(CC2)C2CCc3ccccc3NC2=O)cc1
Show InChI InChI=1S/C21H24ClN3O/c22-18-8-5-16(6-9-18)15-24-11-13-25(14-12-24)20-10-7-17-3-1-2-4-19(17)23-21(20)26/h1-6,8-9,20H,7,10-15H2,(H,23,26)
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>1.00E+3n/an/an/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Binding affinity at human Dopamine receptor D2 by [3H]- YM 09151 displacement.


Bioorg Med Chem Lett 10: 2119-22 (2000)


BindingDB Entry DOI: 10.7270/Q2SN0869
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50092039
PNG
(3-[4-(4-Methyl-benzyl)-piperazin-1-yl]-1,3-dihydro...)
Show SMILES Cc1ccc(CN2CCN(CC2)C2C(=O)Nc3ccccc23)cc1
Show InChI InChI=1S/C20H23N3O/c1-15-6-8-16(9-7-15)14-22-10-12-23(13-11-22)19-17-4-2-3-5-18(17)21-20(19)24/h2-9,19H,10-14H2,1H3,(H,21,24)
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Neurogen Corporation

Curated by ChEMBL


Assay Description
Binding affinity at human Dopamine receptor D4 by [3H]- YM 09151 displacement.


Bioorg Med Chem Lett 10: 2119-22 (2000)


BindingDB Entry DOI: 10.7270/Q2SN0869
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50092047
PNG
(3-[4-(4-Chloro-benzyl)-piperazin-1-yl]-1,3,4,5-tet...)
Show SMILES Clc1ccc(CN2CCN(CC2)C2CCc3ccccc3NC2=O)cc1
Show InChI InChI=1S/C21H24ClN3O/c22-18-8-5-16(6-9-18)15-24-11-13-25(14-12-24)20-10-7-17-3-1-2-4-19(17)23-21(20)26/h1-6,8-9,20H,7,10-15H2,(H,23,26)
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>1.00E+3n/an/an/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Binding affinity at human Dopamine receptor D4 by [3H]- YM 09151 displacement.


Bioorg Med Chem Lett 10: 2119-22 (2000)


BindingDB Entry DOI: 10.7270/Q2SN0869
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50092040
PNG
(2-[4-(4-Chloro-benzyl)-piperazin-1-yl]-N-methyl-N-...)
Show SMILES CN(C(=O)CN1CCN(Cc2ccc(Cl)cc2)CC1)c1ccccc1
Show InChI InChI=1S/C20H24ClN3O/c1-22(19-5-3-2-4-6-19)20(25)16-24-13-11-23(12-14-24)15-17-7-9-18(21)10-8-17/h2-10H,11-16H2,1H3
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Neurogen Corporation

Curated by ChEMBL


Assay Description
Binding affinity at human Dopamine receptor D2 by [3H]- YM 09151 displacement.


Bioorg Med Chem Lett 10: 2119-22 (2000)


BindingDB Entry DOI: 10.7270/Q2SN0869
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50092048
PNG
(3-[4-(4-Chloro-benzyl)-piperazin-1-yl]-1,3-dimethy...)
Show SMILES CN1C(=O)C(C)(N2CCN(Cc3ccc(Cl)cc3)CC2)c2ccccc12
Show InChI InChI=1S/C21H24ClN3O/c1-21(18-5-3-4-6-19(18)23(2)20(21)26)25-13-11-24(12-14-25)15-16-7-9-17(22)10-8-16/h3-10H,11-15H2,1-2H3
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>1.00E+3n/an/an/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Binding affinity at human Dopamine receptor D4 by [3H]- YM 09151 displacement.


Bioorg Med Chem Lett 10: 2119-22 (2000)


BindingDB Entry DOI: 10.7270/Q2SN0869
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50092045
PNG
(1-Methyl-3-[4-(4-methyl-benzyl)-piperazin-1-yl]-1,...)
Show SMILES CN1c2ccccc2CCC(N2CCN(Cc3ccc(C)cc3)CC2)C1=O
Show InChI InChI=1S/C23H29N3O/c1-18-7-9-19(10-8-18)17-25-13-15-26(16-14-25)22-12-11-20-5-3-4-6-21(20)24(2)23(22)27/h3-10,22H,11-17H2,1-2H3
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Neurogen Corporation

Curated by ChEMBL


Assay Description
Binding affinity at human Dopamine receptor D2 by [3H]- YM 09151 displacement.


Bioorg Med Chem Lett 10: 2119-22 (2000)


BindingDB Entry DOI: 10.7270/Q2SN0869
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50092049
PNG
(3-[4-(4-Methyl-benzyl)-piperazin-1-yl]-1,3,4,5-tet...)
Show SMILES Cc1ccc(CN2CCN(CC2)C2CCc3ccccc3NC2=O)cc1
Show InChI InChI=1S/C22H27N3O/c1-17-6-8-18(9-7-17)16-24-12-14-25(15-13-24)21-11-10-19-4-2-3-5-20(19)23-22(21)26/h2-9,21H,10-16H2,1H3,(H,23,26)
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Neurogen Corporation

Curated by ChEMBL


Assay Description
Binding affinity at human Dopamine receptor D2 by [3H]- YM 09151 displacement.


Bioorg Med Chem Lett 10: 2119-22 (2000)


BindingDB Entry DOI: 10.7270/Q2SN0869
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50092038
PNG
(1,3-Dimethyl-3-[4-(4-methyl-benzyl)-piperazin-1-yl...)
Show SMILES CN1C(=O)C(C)(N2CCN(Cc3ccc(C)cc3)CC2)c2ccccc12
Show InChI InChI=1S/C22H27N3O/c1-17-8-10-18(11-9-17)16-24-12-14-25(15-13-24)22(2)19-6-4-5-7-20(19)23(3)21(22)26/h4-11H,12-16H2,1-3H3
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Neurogen Corporation

Curated by ChEMBL


Assay Description
Binding affinity at human Dopamine receptor D4 by [3H]- YM 09151 displacement.


Bioorg Med Chem Lett 10: 2119-22 (2000)


BindingDB Entry DOI: 10.7270/Q2SN0869
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50092052
PNG
(1-Ethyl-3-[4-(4-methyl-benzyl)-piperazin-1-yl]-1,3...)
Show SMILES CCN1c2ccccc2CCC(N2CCN(Cc3ccc(C)cc3)CC2)C1=O
Show InChI InChI=1S/C24H31N3O/c1-3-27-22-7-5-4-6-21(22)12-13-23(24(27)28)26-16-14-25(15-17-26)18-20-10-8-19(2)9-11-20/h4-11,23H,3,12-18H2,1-2H3
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Neurogen Corporation

Curated by ChEMBL


Assay Description
Binding affinity at human Dopamine receptor D2 by [3H]- YM 09151 displacement.


Bioorg Med Chem Lett 10: 2119-22 (2000)


BindingDB Entry DOI: 10.7270/Q2SN0869
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50092050
PNG
(1,3-Diethyl-3-[4-(4-methyl-benzyl)-piperazin-1-yl]...)
Show SMILES CCN1C(=O)C(CC)(N2CCN(Cc3ccc(C)cc3)CC2)c2ccccc12
Show InChI InChI=1S/C24H31N3O/c1-4-24(21-8-6-7-9-22(21)27(5-2)23(24)28)26-16-14-25(15-17-26)18-20-12-10-19(3)11-13-20/h6-13H,4-5,14-18H2,1-3H3
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Neurogen Corporation

Curated by ChEMBL


Assay Description
Binding affinity at human Dopamine receptor D4 by [3H]- YM 09151 displacement.


Bioorg Med Chem Lett 10: 2119-22 (2000)


BindingDB Entry DOI: 10.7270/Q2SN0869
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=1S/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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Neurogen Corporation

Curated by ChEMBL


Assay Description
Binding affinity at human Dopamine receptor D2 by [3H]- YM 09151 displacement.


Bioorg Med Chem Lett 10: 2119-22 (2000)


BindingDB Entry DOI: 10.7270/Q2SN0869
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50092049
PNG
(3-[4-(4-Methyl-benzyl)-piperazin-1-yl]-1,3,4,5-tet...)
Show SMILES Cc1ccc(CN2CCN(CC2)C2CCc3ccccc3NC2=O)cc1
Show InChI InChI=1S/C22H27N3O/c1-17-6-8-18(9-7-17)16-24-12-14-25(15-13-24)21-11-10-19-4-2-3-5-20(19)23-22(21)26/h2-9,21H,10-16H2,1H3,(H,23,26)
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>1.00E+3n/an/an/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Binding affinity at human Dopamine receptor D4 by [3H]- YM 09151 displacement.


Bioorg Med Chem Lett 10: 2119-22 (2000)


BindingDB Entry DOI: 10.7270/Q2SN0869
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50092044
PNG
(3-[4-(4-Chloro-benzyl)-piperazin-1-yl]-1,3-dihydro...)
Show SMILES Clc1ccc(CN2CCN(CC2)C2C(=O)Nc3ccccc23)cc1
Show InChI InChI=1S/C19H20ClN3O/c20-15-7-5-14(6-8-15)13-22-9-11-23(12-10-22)18-16-3-1-2-4-17(16)21-19(18)24/h1-8,18H,9-13H2,(H,21,24)
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>1.00E+3n/an/an/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Binding affinity at human Dopamine receptor D4 by [3H]- YM 09151 displacement.


Bioorg Med Chem Lett 10: 2119-22 (2000)


BindingDB Entry DOI: 10.7270/Q2SN0869
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50092050
PNG
(1,3-Diethyl-3-[4-(4-methyl-benzyl)-piperazin-1-yl]...)
Show SMILES CCN1C(=O)C(CC)(N2CCN(Cc3ccc(C)cc3)CC2)c2ccccc12
Show InChI InChI=1S/C24H31N3O/c1-4-24(21-8-6-7-9-22(21)27(5-2)23(24)28)26-16-14-25(15-17-26)18-20-12-10-19(3)11-13-20/h6-13H,4-5,14-18H2,1-3H3
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Neurogen Corporation

Curated by ChEMBL


Assay Description
Binding affinity at human Dopamine receptor D2 by [3H]- YM 09151 displacement.


Bioorg Med Chem Lett 10: 2119-22 (2000)


BindingDB Entry DOI: 10.7270/Q2SN0869
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50092048
PNG
(3-[4-(4-Chloro-benzyl)-piperazin-1-yl]-1,3-dimethy...)
Show SMILES CN1C(=O)C(C)(N2CCN(Cc3ccc(Cl)cc3)CC2)c2ccccc12
Show InChI InChI=1S/C21H24ClN3O/c1-21(18-5-3-4-6-19(18)23(2)20(21)26)25-13-11-24(12-14-25)15-16-7-9-17(22)10-8-16/h3-10H,11-15H2,1-2H3
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Neurogen Corporation

Curated by ChEMBL


Assay Description
Binding affinity at human Dopamine receptor D2 by [3H]- YM 09151 displacement.


Bioorg Med Chem Lett 10: 2119-22 (2000)


BindingDB Entry DOI: 10.7270/Q2SN0869
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50092038
PNG
(1,3-Dimethyl-3-[4-(4-methyl-benzyl)-piperazin-1-yl...)
Show SMILES CN1C(=O)C(C)(N2CCN(Cc3ccc(C)cc3)CC2)c2ccccc12
Show InChI InChI=1S/C22H27N3O/c1-17-8-10-18(11-9-17)16-24-12-14-25(15-13-24)22(2)19-6-4-5-7-20(19)23(3)21(22)26/h4-11H,12-16H2,1-3H3
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Neurogen Corporation

Curated by ChEMBL


Assay Description
Binding affinity at human Dopamine receptor D2 by [3H]- YM 09151 displacement.


Bioorg Med Chem Lett 10: 2119-22 (2000)


BindingDB Entry DOI: 10.7270/Q2SN0869
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50092041
PNG
(3-[4-(4-Chloro-benzyl)-piperazin-1-yl]-1,3-diethyl...)
Show SMILES CCN1C(=O)C(CC)(N2CCN(Cc3ccc(Cl)cc3)CC2)c2ccccc12
Show InChI InChI=1S/C23H28ClN3O/c1-3-23(20-7-5-6-8-21(20)27(4-2)22(23)28)26-15-13-25(14-16-26)17-18-9-11-19(24)12-10-18/h5-12H,3-4,13-17H2,1-2H3
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Neurogen Corporation

Curated by ChEMBL


Assay Description
Binding affinity at human Dopamine receptor D2 by [3H]- YM 09151 displacement.


Bioorg Med Chem Lett 10: 2119-22 (2000)


BindingDB Entry DOI: 10.7270/Q2SN0869
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50092039
PNG
(3-[4-(4-Methyl-benzyl)-piperazin-1-yl]-1,3-dihydro...)
Show SMILES Cc1ccc(CN2CCN(CC2)C2C(=O)Nc3ccccc23)cc1
Show InChI InChI=1S/C20H23N3O/c1-15-6-8-16(9-7-15)14-22-10-12-23(13-11-22)19-17-4-2-3-5-18(17)21-20(19)24/h2-9,19H,10-14H2,1H3,(H,21,24)
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Neurogen Corporation

Curated by ChEMBL


Assay Description
Binding affinity at human Dopamine receptor D2 by [3H]- YM 09151 displacement.


Bioorg Med Chem Lett 10: 2119-22 (2000)


BindingDB Entry DOI: 10.7270/Q2SN0869
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50092044
PNG
(3-[4-(4-Chloro-benzyl)-piperazin-1-yl]-1,3-dihydro...)
Show SMILES Clc1ccc(CN2CCN(CC2)C2C(=O)Nc3ccccc23)cc1
Show InChI InChI=1S/C19H20ClN3O/c20-15-7-5-14(6-8-15)13-22-9-11-23(12-10-22)18-16-3-1-2-4-17(16)21-19(18)24/h1-8,18H,9-13H2,(H,21,24)
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Neurogen Corporation

Curated by ChEMBL


Assay Description
Binding affinity at human Dopamine receptor D2 by [3H]- YM 09151 displacement.


Bioorg Med Chem Lett 10: 2119-22 (2000)


BindingDB Entry DOI: 10.7270/Q2SN0869
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50092042
PNG
(3-[4-(4-Chloro-benzyl)-piperazin-1-yl]-3,4-dihydro...)
Show SMILES Clc1ccc(CN2CCN(CC2)C2Cc3ccccc3NC2=O)cc1
Show InChI InChI=1S/C20H22ClN3O/c21-17-7-5-15(6-8-17)14-23-9-11-24(12-10-23)19-13-16-3-1-2-4-18(16)22-20(19)25/h1-8,19H,9-14H2,(H,22,25)
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1.37E+3n/an/an/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Binding affinity at human Dopamine receptor D2 by [3H]- YM 09151 displacement.


Bioorg Med Chem Lett 10: 2119-22 (2000)


BindingDB Entry DOI: 10.7270/Q2SN0869
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=1S/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
Binding affinity at human Dopamine receptor D4 by [3H]- YM 09151 displacement.


Bioorg Med Chem Lett 10: 2119-22 (2000)


BindingDB Entry DOI: 10.7270/Q2SN0869
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50092037
PNG
(3-[4-(4-Chloro-benzyl)-piperazin-1-yl]-1-methyl-1,...)
Show SMILES CN1c2ccccc2CCC(N2CCN(Cc3ccc(Cl)cc3)CC2)C1=O
Show InChI InChI=1S/C22H26ClN3O/c1-24-20-5-3-2-4-18(20)8-11-21(22(24)27)26-14-12-25(13-15-26)16-17-6-9-19(23)10-7-17/h2-7,9-10,21H,8,11-16H2,1H3
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2.47E+3n/an/an/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Binding affinity at human Dopamine receptor D4 by [3H]- YM 09151 displacement.


Bioorg Med Chem Lett 10: 2119-22 (2000)


BindingDB Entry DOI: 10.7270/Q2SN0869
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50092052
PNG
(1-Ethyl-3-[4-(4-methyl-benzyl)-piperazin-1-yl]-1,3...)
Show SMILES CCN1c2ccccc2CCC(N2CCN(Cc3ccc(C)cc3)CC2)C1=O
Show InChI InChI=1S/C24H31N3O/c1-3-27-22-7-5-4-6-21(22)12-13-23(24(27)28)26-16-14-25(15-17-26)18-20-10-8-19(2)9-11-20/h4-11,23H,3,12-18H2,1-2H3
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PubMed
2.96E+3n/an/an/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Binding affinity at human Dopamine receptor D4 by [3H]- YM 09151 displacement.


Bioorg Med Chem Lett 10: 2119-22 (2000)


BindingDB Entry DOI: 10.7270/Q2SN0869
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50092045
PNG
(1-Methyl-3-[4-(4-methyl-benzyl)-piperazin-1-yl]-1,...)
Show SMILES CN1c2ccccc2CCC(N2CCN(Cc3ccc(C)cc3)CC2)C1=O
Show InChI InChI=1S/C23H29N3O/c1-18-7-9-19(10-8-18)17-25-13-15-26(16-14-25)22-12-11-20-5-3-4-6-21(20)24(2)23(22)27/h3-10,22H,11-17H2,1-2H3
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PubMed
4.38E+3n/an/an/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Binding affinity at human Dopamine receptor D4 by [3H]- YM 09151 displacement.


Bioorg Med Chem Lett 10: 2119-22 (2000)


BindingDB Entry DOI: 10.7270/Q2SN0869
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50071959
PNG
(9H-Fluorene-2-carboxylic acid {4-[4-(2,3-dichloro-...)
Show SMILES Clc1cccc(N2CCN(CCCCNC(=O)c3ccc-4c(Cc5ccccc-45)c3)CC2)c1Cl
Show InChI InChI=1S/C28H29Cl2N3O/c29-25-8-5-9-26(27(25)30)33-16-14-32(15-17-33)13-4-3-12-31-28(34)21-10-11-24-22(19-21)18-20-6-1-2-7-23(20)24/h1-2,5-11,19H,3-4,12-18H2,(H,31,34)
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>5.00E+3n/an/an/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Compound was evaluated for binding affinity against human Dopamine receptor D4 transfected in CHO cell membranes


Bioorg Med Chem Lett 8: 2715-8 (1999)


BindingDB Entry DOI: 10.7270/Q200018M
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50071958
PNG
(Biphenylene-2-carboxylic acid {4-[4-(2,3-dichloro-...)
Show SMILES Clc1cccc(N2CCN(CCCCNC(=O)c3ccc4-c5ccccc5-c4c3)CC2)c1Cl
Show InChI InChI=1S/C27H27Cl2N3O/c28-24-8-5-9-25(26(24)29)32-16-14-31(15-17-32)13-4-3-12-30-27(33)19-10-11-22-20-6-1-2-7-21(20)23(22)18-19/h1-2,5-11,18H,3-4,12-17H2,(H,30,33)
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>5.00E+3n/an/an/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Compound was evaluated for binding affinity against human Dopamine receptor D4 transfected in CHO cell membranes


Bioorg Med Chem Lett 8: 2715-8 (1999)


BindingDB Entry DOI: 10.7270/Q200018M
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50092041
PNG
(3-[4-(4-Chloro-benzyl)-piperazin-1-yl]-1,3-diethyl...)
Show SMILES CCN1C(=O)C(CC)(N2CCN(Cc3ccc(Cl)cc3)CC2)c2ccccc12
Show InChI InChI=1S/C23H28ClN3O/c1-3-23(20-7-5-6-8-21(20)27(4-2)22(23)28)26-15-13-25(14-16-26)17-18-9-11-19(24)12-10-18/h5-12H,3-4,13-17H2,1-2H3
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PubMed
7.02E+3n/an/an/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Binding affinity at human Dopamine receptor D4 by [3H]- YM 09151 displacement.


Bioorg Med Chem Lett 10: 2119-22 (2000)


BindingDB Entry DOI: 10.7270/Q2SN0869
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50092037
PNG
(3-[4-(4-Chloro-benzyl)-piperazin-1-yl]-1-methyl-1,...)
Show SMILES CN1c2ccccc2CCC(N2CCN(Cc3ccc(Cl)cc3)CC2)C1=O
Show InChI InChI=1S/C22H26ClN3O/c1-24-20-5-3-2-4-18(20)8-11-21(22(24)27)26-14-12-25(13-15-26)16-17-6-9-19(23)10-7-17/h2-7,9-10,21H,8,11-16H2,1H3
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7.37E+3n/an/an/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Binding affinity at human Dopamine receptor D2 by [3H]- YM 09151 displacement.


Bioorg Med Chem Lett 10: 2119-22 (2000)


BindingDB Entry DOI: 10.7270/Q2SN0869
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50071959
PNG
(9H-Fluorene-2-carboxylic acid {4-[4-(2,3-dichloro-...)
Show SMILES Clc1cccc(N2CCN(CCCCNC(=O)c3ccc-4c(Cc5ccccc-45)c3)CC2)c1Cl
Show InChI InChI=1S/C28H29Cl2N3O/c29-25-8-5-9-26(27(25)30)33-16-14-32(15-17-33)13-4-3-12-31-28(34)21-10-11-24-22(19-21)18-20-6-1-2-7-23(20)24/h1-2,5-11,19H,3-4,12-18H2,(H,31,34)
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>1.00E+4n/an/an/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Compound was evaluated for binding affinity against Dopamine receptor D1 transfected in CHO cell membranes


Bioorg Med Chem Lett 8: 2715-8 (1999)


BindingDB Entry DOI: 10.7270/Q200018M
More data for this
Ligand-Target Pair
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