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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 = 'BDBM50189851'   
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


(Homo sapiens (Human))
BDBM50189851
PNG
(8-bromo-2-[4-(2-methoxyphenyl)piperazin-1-ylmethyl...)
Show SMILES COc1ccccc1N1CCN(Cc2cn3cc(C)cc(Br)c3n2)CC1
Show InChI InChI=1S/C20H23BrN4O/c1-15-11-17(21)20-22-16(14-25(20)12-15)13-23-7-9-24(10-8-23)18-5-3-4-6-19(18)26-2/h3-6,11-12,14H,7-10,13H2,1-2H3
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PC cid
PC sid
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Similars

Article
PubMed
150n/an/an/an/an/an/an/an/a



Laboratoire de Chimie Th�rapeutique

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human dopamine receptor D2(short) in CHO cell membrane


J Med Chem 49: 3938-47 (2006)


Article DOI: 10.1021/jm060166w
BindingDB Entry DOI: 10.7270/Q20G3KZ5
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50189851
PNG
(8-bromo-2-[4-(2-methoxyphenyl)piperazin-1-ylmethyl...)
Show SMILES COc1ccccc1N1CCN(Cc2cn3cc(C)cc(Br)c3n2)CC1
Show InChI InChI=1S/C20H23BrN4O/c1-15-11-17(21)20-22-16(14-25(20)12-15)13-23-7-9-24(10-8-23)18-5-3-4-6-19(18)26-2/h3-6,11-12,14H,7-10,13H2,1-2H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
240n/an/an/an/an/an/an/an/a



Laboratoire de Chimie Th�rapeutique

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human dopamine receptor D2(long) in CHO cell membrane


J Med Chem 49: 3938-47 (2006)


Article DOI: 10.1021/jm060166w
BindingDB Entry DOI: 10.7270/Q20G3KZ5
More data for this
Ligand-Target Pair