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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 = 'BDBM50069918'   
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))
BDBM50069918
PNG
(CHEMBL99849 | N-[3-(2-Benzylamino-ethoxy)-phenyl]-...)
Show SMILES CS(=O)(=O)Nc1cccc(OCCNCc2ccccc2)c1
Show InChI InChI=1S/C16H20N2O3S/c1-22(19,20)18-15-8-5-9-16(12-15)21-11-10-17-13-14-6-3-2-4-7-14/h2-9,12,17-18H,10-11,13H2,1H3
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PubMed
4.40n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research Laboratories

Curated by ChEMBL


Assay Description
Agonistic activity towards dopamine D2 receptor using radioligand [3H]-quinpirole in rat striatal membranes


Bioorg Med Chem Lett 8: 295-300 (1999)


BindingDB Entry DOI: 10.7270/Q28W3CG1
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50069918
PNG
(CHEMBL99849 | N-[3-(2-Benzylamino-ethoxy)-phenyl]-...)
Show SMILES CS(=O)(=O)Nc1cccc(OCCNCc2ccccc2)c1
Show InChI InChI=1S/C16H20N2O3S/c1-22(19,20)18-15-8-5-9-16(12-15)21-11-10-17-13-14-6-3-2-4-7-14/h2-9,12,17-18H,10-11,13H2,1H3
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PC sid
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PubMed
29n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research Laboratories

Curated by ChEMBL


Assay Description
Antagonistic activity towards dopamine D2 receptor using radioligand [3H]spiperone in rat striatal membranes


Bioorg Med Chem Lett 8: 295-300 (1999)


BindingDB Entry DOI: 10.7270/Q28W3CG1
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50069918
PNG
(CHEMBL99849 | N-[3-(2-Benzylamino-ethoxy)-phenyl]-...)
Show SMILES CS(=O)(=O)Nc1cccc(OCCNCc2ccccc2)c1
Show InChI InChI=1S/C16H20N2O3S/c1-22(19,20)18-15-8-5-9-16(12-15)21-11-10-17-13-14-6-3-2-4-7-14/h2-9,12,17-18H,10-11,13H2,1H3
PDB

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PC cid
PC sid
UniChem

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PubMed
38n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards human cloned dopamine (hD2s) receptors expressed in CHO cell membranes using [3H]-spiperone


Bioorg Med Chem Lett 8: 295-300 (1999)


BindingDB Entry DOI: 10.7270/Q28W3CG1
More data for this
Ligand-Target Pair