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Compile Data Set for Download or QSAR

Found 3 hits of ki for monomerid = 50119969   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
D(4) dopamine receptor


(Homo sapiens (Human))
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
D(2) dopamine receptor


(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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1.10E+3n/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
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
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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1.26E+6n/an/an/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Binding affinity towards Alpha-1 adrenergic receptor was determined by competitive displacement assays using rat brain homogenate with [3H]prazosin a...


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


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