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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 = 'BDBM50077570'   
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))
BDBM50077570
PNG
(4-[2-(3,4-Dihydro-1H-isoquinolin-2-yl)-ethoxy]-7-f...)
Show SMILES Fc1ccc(OCCN2CCc3ccccc3C2)c2CC(=O)Nc12
Show InChI InChI=1S/C19H19FN2O2/c20-16-5-6-17(15-11-18(23)21-19(15)16)24-10-9-22-8-7-13-3-1-2-4-14(13)12-22/h1-6H,7-12H2,(H,21,23)
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PC cid
PC sid
UniChem

Similars

Article
PubMed
0.860n/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))
BDBM50077570
PNG
(4-[2-(3,4-Dihydro-1H-isoquinolin-2-yl)-ethoxy]-7-f...)
Show SMILES Fc1ccc(OCCN2CCc3ccccc3C2)c2CC(=O)Nc12
Show InChI InChI=1S/C19H19FN2O2/c20-16-5-6-17(15-11-18(23)21-19(15)16)24-10-9-22-8-7-13-3-1-2-4-14(13)12-22/h1-6H,7-12H2,(H,21,23)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
5n/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