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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'D(4) dopamine receptor' and Ligand = 'BDBM50193312'   
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(4) dopamine receptor


(Homo sapiens (Human))
BDBM50193312
PNG
((E)-1-phenyl-3-(4-pyridin-2-ylpiperazin-1-yl)propa...)
Show SMILES O=NC(CCN1CCN(CC1)c1ccccn1)c1ccccc1
Show InChI InChI=1S/C18H22N4O/c23-20-17(16-6-2-1-3-7-16)9-11-21-12-14-22(15-13-21)18-8-4-5-10-19-18/h1-8,10,17H,9,11-15H2
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Article
PubMed
25.4n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]A-369508 from human recombinant D4.4 receptor expressed in HEK293 cell membrane


J Med Chem 49: 5093-109 (2006)


Article DOI: 10.1021/jm060279f
BindingDB Entry DOI: 10.7270/Q2CJ8D4B
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50193312
PNG
((E)-1-phenyl-3-(4-pyridin-2-ylpiperazin-1-yl)propa...)
Show SMILES O=NC(CCN1CCN(CC1)c1ccccn1)c1ccccc1
Show InChI InChI=1S/C18H22N4O/c23-20-17(16-6-2-1-3-7-16)9-11-21-12-14-22(15-13-21)18-8-4-5-10-19-18/h1-8,10,17H,9,11-15H2
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KEGG

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Article
PubMed
n/an/an/an/a 4.40n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Activity at human recombinant D4.4 receptor expressed in HEK293 cells by FLIPR assay


J Med Chem 49: 5093-109 (2006)


Article DOI: 10.1021/jm060279f
BindingDB Entry DOI: 10.7270/Q2CJ8D4B
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50193312
PNG
((E)-1-phenyl-3-(4-pyridin-2-ylpiperazin-1-yl)propa...)
Show SMILES O=NC(CCN1CCN(CC1)c1ccccn1)c1ccccc1
Show InChI InChI=1S/C18H22N4O/c23-20-17(16-6-2-1-3-7-16)9-11-21-12-14-22(15-13-21)18-8-4-5-10-19-18/h1-8,10,17H,9,11-15H2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 21.7n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Activity at human recombinant D4.4 receptor expressed in HEK293 cells by FLIPR assay


J Med Chem 49: 5093-109 (2006)


Article DOI: 10.1021/jm060279f
BindingDB Entry DOI: 10.7270/Q2CJ8D4B
More data for this
Ligand-Target Pair