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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 = 'BDBM50073272'   
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))
BDBM50073272
PNG
(4-Methyl-7-[3-(4-phenyl-piperazin-1-yl)-propoxy]-c...)
Show SMILES Cc1cc(=O)oc2cc(OCCCN3CCN(CC3)c3ccccc3)ccc12
Show InChI InChI=1S/C23H26N2O3/c1-18-16-23(26)28-22-17-20(8-9-21(18)22)27-15-5-10-24-11-13-25(14-12-24)19-6-3-2-4-7-19/h2-4,6-9,16-17H,5,10-15H2,1H3
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Article
PubMed
11n/an/an/an/an/an/an/an/a



Huazhong University of Science and Technology

Curated by ChEMBL


Assay Description
Binding affinity to dopamine D2 receptor (unknown origin)


J Med Chem 56: 4671-90 (2013)


Article DOI: 10.1021/jm400408r
BindingDB Entry DOI: 10.7270/Q2R49S50
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50073272
PNG
(4-Methyl-7-[3-(4-phenyl-piperazin-1-yl)-propoxy]-c...)
Show SMILES Cc1cc(=O)oc2cc(OCCCN3CCN(CC3)c3ccccc3)ccc12
Show InChI InChI=1S/C23H26N2O3/c1-18-16-23(26)28-22-17-20(8-9-21(18)22)27-15-5-10-24-11-13-25(14-12-24)19-6-3-2-4-7-19/h2-4,6-9,16-17H,5,10-15H2,1H3
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PubMed
14n/an/an/an/an/an/an/an/a



University of Vigo

Curated by ChEMBL


Assay Description
Compound was measured for the binding affinity in homogenated mouse fibroblast (LTK) cells transfected with human Dopamine receptor D2A using [3H]-ra...


Bioorg Med Chem Lett 8: 3567-70 (1999)


BindingDB Entry DOI: 10.7270/Q2CV4GWM
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50073272
PNG
(4-Methyl-7-[3-(4-phenyl-piperazin-1-yl)-propoxy]-c...)
Show SMILES Cc1cc(=O)oc2cc(OCCCN3CCN(CC3)c3ccccc3)ccc12
Show InChI InChI=1S/C23H26N2O3/c1-18-16-23(26)28-22-17-20(8-9-21(18)22)27-15-5-10-24-11-13-25(14-12-24)19-6-3-2-4-7-19/h2-4,6-9,16-17H,5,10-15H2,1H3
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46n/an/an/an/an/an/an/an/a



University of Santiago

Curated by ChEMBL


Assay Description
Binding affinity towards Dopamine receptor D2 in rat frontal striatum using [3H]spiperone


Bioorg Med Chem Lett 13: 175-8 (2002)


BindingDB Entry DOI: 10.7270/Q2T43V8H
More data for this
Ligand-Target Pair