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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 = 'BDBM50033835'   
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))
BDBM50033835
PNG
(1-(2-Methoxy-phenyl)-4-[4-(5-methoxy-1,2,3,4-tetra...)
Show SMILES COc1cccc2C(CCCCN3CCN(CC3)c3ccccc3OC)CCCc12
Show InChI InChI=1S/C26H36N2O2/c1-29-25-15-8-11-22-21(10-7-12-23(22)25)9-5-6-16-27-17-19-28(20-18-27)24-13-3-4-14-26(24)30-2/h3-4,8,11,13-15,21H,5-7,9-10,12,16-20H2,1-2H3
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Article
5n/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))
BDBM50033835
PNG
(1-(2-Methoxy-phenyl)-4-[4-(5-methoxy-1,2,3,4-tetra...)
Show SMILES COc1cccc2C(CCCCN3CCN(CC3)c3ccccc3OC)CCCc12
Show InChI InChI=1S/C26H36N2O2/c1-29-25-15-8-11-22-21(10-7-12-23(22)25)9-5-6-16-27-17-19-28(20-18-27)24-13-3-4-14-26(24)30-2/h3-4,8,11,13-15,21H,5-7,9-10,12,16-20H2,1-2H3
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n/an/a 15n/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))
BDBM50033835
PNG
(1-(2-Methoxy-phenyl)-4-[4-(5-methoxy-1,2,3,4-tetra...)
Show SMILES COc1cccc2C(CCCCN3CCN(CC3)c3ccccc3OC)CCCc12
Show InChI InChI=1S/C26H36N2O2/c1-29-25-15-8-11-22-21(10-7-12-23(22)25)9-5-6-16-27-17-19-28(20-18-27)24-13-3-4-14-26(24)30-2/h3-4,8,11,13-15,21H,5-7,9-10,12,16-20H2,1-2H3
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n/an/a 15.4n/an/an/an/an/an/a



Università di Bari

Curated by ChEMBL


Assay Description
In vitro binding affinity measured on dopamine receptor D2 using [3H]-spiroperidol as radioligand.


J Med Chem 38: 942-9 (1995)


BindingDB Entry DOI: 10.7270/Q2SQ8ZD0
More data for this
Ligand-Target Pair