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Compile Data Set for Download or QSAR

Found 5 hits of ki for monomerid = 50119911   
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))
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


Assay Description
Dopamine receptor D2 functional activity was assessed via inhibition of forskolin stimulated cAMP production from Whole cells


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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209n/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(4) 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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960n/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
D(4) 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
PDB

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960n/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
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
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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2.66E+3n/an/an/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Binding affinity towards Alpha-1 adrenergic receptor via standard competitive displacement assay using rat brain homogenate with [3H]prazosin as radi...


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


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