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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'D(2) dopamine receptor' and Ligand = 'BDBM50069920'   
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))
BDBM50069920
PNG
(5-(2-Benzylamino-ethoxy)-2-chloro-phenylamine | CH...)
Show SMILES Nc1cc(OCCNCc2ccccc2)ccc1Cl
Show InChI InChI=1S/C15H17ClN2O/c16-14-7-6-13(10-15(14)17)19-9-8-18-11-12-4-2-1-3-5-12/h1-7,10,18H,8-9,11,17H2
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PC cid
PC sid
UniChem
PubMed
237n/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


(Homo sapiens (Human))
BDBM50069920
PNG
(5-(2-Benzylamino-ethoxy)-2-chloro-phenylamine | CH...)
Show SMILES Nc1cc(OCCNCc2ccccc2)ccc1Cl
Show InChI InChI=1S/C15H17ClN2O/c16-14-7-6-13(10-15(14)17)19-9-8-18-11-12-4-2-1-3-5-12/h1-7,10,18H,8-9,11,17H2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
>1.00E+3n/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