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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 = 'BDBM50077568'   
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))
BDBM50077568
PNG
(4-[2-(Benzyl-methyl-amino)-ethoxy]-1,3-dihydro-ind...)
Show SMILES CN(CCOc1cccc2NC(=O)Cc12)Cc1ccccc1
Show InChI InChI=1S/C18H20N2O2/c1-20(13-14-6-3-2-4-7-14)10-11-22-17-9-5-8-16-15(17)12-18(21)19-16/h2-9H,10-13H2,1H3,(H,19,21)
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PC cid
PC sid
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Similars

Article
PubMed
0.760n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research Laboratories

Curated by ChEMBL


Assay Description
In vitro high binding affinity towards Dopamine receptor D2 by the displacement of [3H]-quinpirole radioligand in rat striatal membranes


J Med Chem 42: 2007-20 (1999)


Article DOI: 10.1021/jm990023s
BindingDB Entry DOI: 10.7270/Q25D8R1W
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50077568
PNG
(4-[2-(Benzyl-methyl-amino)-ethoxy]-1,3-dihydro-ind...)
Show SMILES CN(CCOc1cccc2NC(=O)Cc12)Cc1ccccc1
Show InChI InChI=1S/C18H20N2O2/c1-20(13-14-6-3-2-4-7-14)10-11-22-17-9-5-8-16-15(17)12-18(21)19-16/h2-9H,10-13H2,1H3,(H,19,21)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
50n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research Laboratories

Curated by ChEMBL


Assay Description
In vitro low binding affinity towards Dopamine receptor D2 by the displacement of [3H]-spiperone radioligand in rat striatal membranes


J Med Chem 42: 2007-20 (1999)


Article DOI: 10.1021/jm990023s
BindingDB Entry DOI: 10.7270/Q25D8R1W
More data for this
Ligand-Target Pair