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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 = 'BDBM50054338'   
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))
BDBM50054338
PNG
(Butyl-((R)-5-fluoro-1,2,3,4-tetrahydro-naphthalen-...)
Show SMILES CCCCN(CCC)[C@@H]1CCc2c(F)cccc2C1
Show InChI InChI=1S/C17H26FN/c1-3-5-12-19(11-4-2)15-9-10-16-14(13-15)7-6-8-17(16)18/h6-8,15H,3-5,9-13H2,1-2H3/t15-/m1/s1
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PC cid
PC sid
UniChem

Similars

Article
PubMed
46n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Displacement of [3H]-quinpirole from Dopamine receptor D2


J Med Chem 39: 4421-9 (1996)


Article DOI: 10.1021/jm960350p
BindingDB Entry DOI: 10.7270/Q21G0KCQ
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50054338
PNG
(Butyl-((R)-5-fluoro-1,2,3,4-tetrahydro-naphthalen-...)
Show SMILES CCCCN(CCC)[C@@H]1CCc2c(F)cccc2C1
Show InChI InChI=1S/C17H26FN/c1-3-5-12-19(11-4-2)15-9-10-16-14(13-15)7-6-8-17(16)18/h6-8,15H,3-5,9-13H2,1-2H3/t15-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
210n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Inhibition of [3H]-raclopride binding to Dopamine receptor D2


J Med Chem 39: 4421-9 (1996)


Article DOI: 10.1021/jm960350p
BindingDB Entry DOI: 10.7270/Q21G0KCQ
More data for this
Ligand-Target Pair