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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'D(2) dopamine receptor' and Ligand = 'BDBM50052563'   
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


(Rattus norvegicus (rat))
BDBM50052563
PNG
(3-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-N-(5-metho...)
Show SMILES COc1cccc2C(CCCc12)NC(=O)CCN1CCN(CC1)c1ccccc1OC
Show InChI InChI=1S/C25H33N3O3/c1-30-23-12-6-7-19-20(23)8-5-9-21(19)26-25(29)13-14-27-15-17-28(18-16-27)22-10-3-4-11-24(22)31-2/h3-4,6-7,10-12,21H,5,8-9,13-18H2,1-2H3,(H,26,29)
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Article
253n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-spiperone from Dopamine receptor D2 of rat corpora striata synaptic membranes


Bioorg Med Chem Lett 7: 1327-1330 (1997)


Article DOI: 10.1016/S0960-894X(97)00218-7
BindingDB Entry DOI: 10.7270/Q2P55NJG
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50052563
PNG
(3-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-N-(5-metho...)
Show SMILES COc1cccc2C(CCCc12)NC(=O)CCN1CCN(CC1)c1ccccc1OC
Show InChI InChI=1S/C25H33N3O3/c1-30-23-12-6-7-19-20(23)8-5-9-21(19)26-25(29)13-14-27-15-17-28(18-16-27)22-10-3-4-11-24(22)31-2/h3-4,6-7,10-12,21H,5,8-9,13-18H2,1-2H3,(H,26,29)
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PubMed
n/an/a 761n/an/an/an/an/an/a



Universit£ di Bari

Curated by ChEMBL


Assay Description
Binding affinity against Dopamine receptor D2 in rat striatal membrane using [3H]spiroperidol as radioligand


J Med Chem 39: 3195-202 (1996)


Article DOI: 10.1021/jm960087s
BindingDB Entry DOI: 10.7270/Q2GM87ZN
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50052563
PNG
(3-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-N-(5-metho...)
Show SMILES COc1cccc2C(CCCc12)NC(=O)CCN1CCN(CC1)c1ccccc1OC
Show InChI InChI=1S/C25H33N3O3/c1-30-23-12-6-7-19-20(23)8-5-9-21(19)26-25(29)13-14-27-15-17-28(18-16-27)22-10-3-4-11-24(22)31-2/h3-4,6-7,10-12,21H,5,8-9,13-18H2,1-2H3,(H,26,29)
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PubMed
n/an/a 761n/an/an/an/an/an/a



Università di Bari

Curated by ChEMBL


Assay Description
In vitro inhibition of [3H]-spiroperidol binding to rat Dopamine D2 receptors.


J Med Chem 42: 490-6 (1999)


Article DOI: 10.1021/jm980420n
BindingDB Entry DOI: 10.7270/Q29W0DP9
More data for this
Ligand-Target Pair