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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 = 'BDBM50077589'   
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))
BDBM50077589
PNG
(1-[4-(2-Benzylamino-ethoxy)-1H-indol-3-yl]-2,2,2-t...)
Show SMILES FC(F)(F)C(=O)c1c[nH]c2cccc(OCCNCc3ccccc3)c12
Show InChI InChI=1S/C19H17F3N2O2/c20-19(21,22)18(25)14-12-24-15-7-4-8-16(17(14)15)26-10-9-23-11-13-5-2-1-3-6-13/h1-8,12,23-24H,9-11H2
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Article
PubMed
3n/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))
BDBM50077589
PNG
(1-[4-(2-Benzylamino-ethoxy)-1H-indol-3-yl]-2,2,2-t...)
Show SMILES FC(F)(F)C(=O)c1c[nH]c2cccc(OCCNCc3ccccc3)c12
Show InChI InChI=1S/C19H17F3N2O2/c20-19(21,22)18(25)14-12-24-15-7-4-8-16(17(14)15)26-10-9-23-11-13-5-2-1-3-6-13/h1-8,12,23-24H,9-11H2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
17n/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