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Compile Data Set for Download or QSAR

Found 6 hits of ki for monomerid = 50001874   
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 D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50001874
PNG
(1-{5-[4-(2-Ethyl-phenyl)-piperazin-1-ylmethyl]-1-m...)
Show SMILES CCc1ccccc1N1CCN(Cc2ccc(CN3CCCCC3=O)n2C)CC1
Show InChI InChI=1S/C24H34N4O/c1-3-20-8-4-5-9-23(20)27-16-14-26(15-17-27)18-21-11-12-22(25(21)2)19-28-13-7-6-10-24(28)29/h4-5,8-9,11-12H,3,6-7,10,13-19H2,1-2H3
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PubMed
6.70n/an/an/an/an/an/an/an/a



R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity towards dopamine receptor D2 by displacing [3H]spiperone radioligand in rat striatum


J Med Chem 35: 552-8 (1992)


Article DOI: 10.1021/jm00081a018
BindingDB Entry DOI: 10.7270/Q2PR7WMW
More data for this
Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50001874
PNG
(1-{5-[4-(2-Ethyl-phenyl)-piperazin-1-ylmethyl]-1-m...)
Show SMILES CCc1ccccc1N1CCN(Cc2ccc(CN3CCCCC3=O)n2C)CC1
Show InChI InChI=1S/C24H34N4O/c1-3-20-8-4-5-9-23(20)27-16-14-26(15-17-27)18-21-11-12-22(25(21)2)19-28-13-7-6-10-24(28)29/h4-5,8-9,11-12H,3,6-7,10,13-19H2,1-2H3
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11n/an/an/an/an/an/an/an/a



R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
The compound was tested for its binding affinity towards Alpha-1 adrenergic receptor by displacing [3H]WB-4101 radioligand in rat cerebral cortex


J Med Chem 35: 552-8 (1992)


Article DOI: 10.1021/jm00081a018
BindingDB Entry DOI: 10.7270/Q2PR7WMW
More data for this
Ligand-Target Pair
Serotonin 1 (5-HT1) receptor


(RAT-Rattus norvegicus (rat)-Rattus norvegicus (Rat...)
BDBM50001874
PNG
(1-{5-[4-(2-Ethyl-phenyl)-piperazin-1-ylmethyl]-1-m...)
Show SMILES CCc1ccccc1N1CCN(Cc2ccc(CN3CCCCC3=O)n2C)CC1
Show InChI InChI=1S/C24H34N4O/c1-3-20-8-4-5-9-23(20)27-16-14-26(15-17-27)18-21-11-12-22(25(21)2)19-28-13-7-6-10-24(28)29/h4-5,8-9,11-12H,3,6-7,10,13-19H2,1-2H3
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Article
PubMed
27n/an/an/an/an/an/an/an/a



R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
The compound was tested for its binding affinity towards 5-hydroxytryptamine 1 receptor by displacing [3H]5-HT radioligand in rat cerebral cortex


J Med Chem 35: 552-8 (1992)


Article DOI: 10.1021/jm00081a018
BindingDB Entry DOI: 10.7270/Q2PR7WMW
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50001874
PNG
(1-{5-[4-(2-Ethyl-phenyl)-piperazin-1-ylmethyl]-1-m...)
Show SMILES CCc1ccccc1N1CCN(Cc2ccc(CN3CCCCC3=O)n2C)CC1
Show InChI InChI=1S/C24H34N4O/c1-3-20-8-4-5-9-23(20)27-16-14-26(15-17-27)18-21-11-12-22(25(21)2)19-28-13-7-6-10-24(28)29/h4-5,8-9,11-12H,3,6-7,10,13-19H2,1-2H3
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30n/an/an/an/an/an/an/an/a



R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 1A receptor by displacing [3H]WB-4101 from rat hippocampus


J Med Chem 35: 552-8 (1992)


Article DOI: 10.1021/jm00081a018
BindingDB Entry DOI: 10.7270/Q2PR7WMW
More data for this
Ligand-Target Pair
Serotonin 1B/1D receptor


(Rattus norvegicus (Rat))
BDBM50001874
PNG
(1-{5-[4-(2-Ethyl-phenyl)-piperazin-1-ylmethyl]-1-m...)
Show SMILES CCc1ccccc1N1CCN(Cc2ccc(CN3CCCCC3=O)n2C)CC1
Show InChI InChI=1S/C24H34N4O/c1-3-20-8-4-5-9-23(20)27-16-14-26(15-17-27)18-21-11-12-22(25(21)2)19-28-13-7-6-10-24(28)29/h4-5,8-9,11-12H,3,6-7,10,13-19H2,1-2H3
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100n/an/an/an/an/an/an/an/a



R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
The compound was tested for its binding affinity towards 5-hydroxytryptamine 1B receptor by displacing [3H]serotonin radioligand in rat cerebral cort...


J Med Chem 35: 552-8 (1992)


Article DOI: 10.1021/jm00081a018
BindingDB Entry DOI: 10.7270/Q2PR7WMW
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50001874
PNG
(1-{5-[4-(2-Ethyl-phenyl)-piperazin-1-ylmethyl]-1-m...)
Show SMILES CCc1ccccc1N1CCN(Cc2ccc(CN3CCCCC3=O)n2C)CC1
Show InChI InChI=1S/C24H34N4O/c1-3-20-8-4-5-9-23(20)27-16-14-26(15-17-27)18-21-11-12-22(25(21)2)19-28-13-7-6-10-24(28)29/h4-5,8-9,11-12H,3,6-7,10,13-19H2,1-2H3
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Article
PubMed
355n/an/an/an/an/an/an/an/a



R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
The compound was tested for its binding affinity towards 5-hydroxytryptamine 2 receptor by displacing [3H]ketanserin radioligand in rat cerebral cort...


J Med Chem 35: 552-8 (1992)


Article DOI: 10.1021/jm00081a018
BindingDB Entry DOI: 10.7270/Q2PR7WMW
More data for this
Ligand-Target Pair