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BDBM50052548 1-(4-Benzofuran-5-yl-but-3-ynyl)-4-phenyl-1,2,3,6-tetrahydro-pyridine::CHEMBL419021

SMILES: C(CN1CCC(=CC1)c1ccccc1)C#Cc1ccc2occc2c1

InChI Key: InChIKey=SAPVVBMVHBHWPK-UHFFFAOYSA-N

Data: 2 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50052548   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50052548
PNG
(1-(4-Benzofuran-5-yl-but-3-ynyl)-4-phenyl-1,2,3,6-...)
Show SMILES C(CN1CCC(=CC1)c1ccccc1)C#Cc1ccc2occc2c1 |c:5|
Show InChI InChI=1S/C23H21NO/c1-2-7-20(8-3-1)21-11-15-24(16-12-21)14-5-4-6-19-9-10-23-22(18-19)13-17-25-23/h1-3,7-11,13,17-18H,5,12,14-16H2
PDB

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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
437n/an/an/an/an/an/an/an/a



Pomona College

Curated by ChEMBL


Assay Description
Binding affinity towards dopamine receptor D2 of rat striatal membrane was determined


Bioorg Med Chem Lett 15: 2149-57 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.012
BindingDB Entry DOI: 10.7270/Q2RR20G2
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50052548
PNG
(1-(4-Benzofuran-5-yl-but-3-ynyl)-4-phenyl-1,2,3,6-...)
Show SMILES C(CN1CCC(=CC1)c1ccccc1)C#Cc1ccc2occc2c1 |c:5|
Show InChI InChI=1S/C23H21NO/c1-2-7-20(8-3-1)21-11-15-24(16-12-21)14-5-4-6-19-9-10-23-22(18-19)13-17-25-23/h1-3,7-11,13,17-18H,5,12,14-16H2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
440n/an/an/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Binding affinity at Dopamine receptor D2 in rat striatal membrane by [3H]-spiperone displacement.


J Med Chem 39: 3179-87 (1996)


Article DOI: 10.1021/jm950721m
BindingDB Entry DOI: 10.7270/Q23N22GZ
More data for this
Ligand-Target Pair