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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'D(3) dopamine receptor' and Ligand = 'BDBM50061346'   
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(3) dopamine receptor


(Homo sapiens (Human))
BDBM50061346
PNG
((2-Phenoxy-ethyl)-(3-phenoxy-propyl)-amine | CHEMB...)
Show SMILES C(CNCCOc1ccccc1)COc1ccccc1
Show InChI InChI=1S/C17H21NO2/c1-3-8-16(9-4-1)19-14-7-12-18-13-15-20-17-10-5-2-6-11-17/h1-6,8-11,18H,7,12-15H2
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
135n/an/an/an/an/an/an/an/a



Pomona College

Curated by ChEMBL


Assay Description
Binding affinity to displace [3H]spiperone from cloned human dopamine receptor D3 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(3) dopamine receptor


(Homo sapiens (Human))
BDBM50061346
PNG
((2-Phenoxy-ethyl)-(3-phenoxy-propyl)-amine | CHEMB...)
Show SMILES C(CNCCOc1ccccc1)COc1ccccc1
Show InChI InChI=1S/C17H21NO2/c1-3-8-16(9-4-1)19-14-7-12-18-13-15-20-17-10-5-2-6-11-17/h1-6,8-11,18H,7,12-15H2
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
136n/an/an/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Binding affinity against cloned human dopamine receptor D3 expressed in Chinese hamster ovary (CHO) K-1 cells by displacement of [3H]-spiperone.


J Med Chem 40: 4026-9 (1998)


Article DOI: 10.1021/jm970422s
BindingDB Entry DOI: 10.7270/Q22J69Z9
More data for this
Ligand-Target Pair