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Compile Data Set for Download or QSAR

Found 8 hits of ki for monomerid = 50092053   
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))
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
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


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



Neurogen Corporation

Curated by ChEMBL




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


BindingDB Entry DOI: 10.7270/Q2B56J44
More data for this
Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


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



Neurogen Corporation

Curated by ChEMBL




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))
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 towards human Dopamine receptor D2 was determined via standard competitive displacement assay 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))
BDBM50092053
PNG
(2-[4-(4-Chloro-benzyl)-piperazin-1-yl]-1-(2,3-dihy...)
Show SMILES Clc1ccc(CN2CCN(CC(=O)N3CCc4ccccc34)CC2)cc1
Show InChI InChI=1S/C21H24ClN3O/c22-19-7-5-17(6-8-19)15-23-11-13-24(14-12-23)16-21(26)25-10-9-18-3-1-2-4-20(18)25/h1-8H,9-16H2
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690n/an/an/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


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


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


BindingDB Entry DOI: 10.7270/Q2B56J44
More data for this
Ligand-Target Pair
D(2) dopamine receptor


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