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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'D(4) dopamine receptor' and Ligand = 'BDBM50193346'   
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))
BDBM50193346
PNG
((E)-3-(4-pyridin-2-ylpiperazin-1-yl)-1-(o-tolyl)pr...)
Show SMILES Cc1ccccc1C(CCN1CCN(CC1)c1ccccn1)N=O
Show InChI InChI=1S/C19H24N4O/c1-16-6-2-3-7-17(16)18(21-24)9-11-22-12-14-23(15-13-22)19-8-4-5-10-20-19/h2-8,10,18H,9,11-15H2,1H3
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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 4.20n/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))
BDBM50193346
PNG
((E)-3-(4-pyridin-2-ylpiperazin-1-yl)-1-(o-tolyl)pr...)
Show SMILES Cc1ccccc1C(CCN1CCN(CC1)c1ccccn1)N=O
Show InChI InChI=1S/C19H24N4O/c1-16-6-2-3-7-17(16)18(21-24)9-11-22-12-14-23(15-13-22)19-8-4-5-10-20-19/h2-8,10,18H,9,11-15H2,1H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 20.3n/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