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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 = 'BDBM50193331'   
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))
BDBM50193331
PNG
((E)-1-(3,4-dichlorophenyl)-3-(4-pyridin-2-ylpipera...)
Show SMILES CO\N=C(/CCN1CCN(CC1)c1ccccn1)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C19H22Cl2N4O/c1-26-23-18(15-5-6-16(20)17(21)14-15)7-9-24-10-12-25(13-11-24)19-4-2-3-8-22-19/h2-6,8,14H,7,9-13H2,1H3/b23-18+
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PC cid
PC sid
UniChem

Similars

Article
PubMed
6.40n/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))
BDBM50193331
PNG
((E)-1-(3,4-dichlorophenyl)-3-(4-pyridin-2-ylpipera...)
Show SMILES CO\N=C(/CCN1CCN(CC1)c1ccccn1)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C19H22Cl2N4O/c1-26-23-18(15-5-6-16(20)17(21)14-15)7-9-24-10-12-25(13-11-24)19-4-2-3-8-22-19/h2-6,8,14H,7,9-13H2,1H3/b23-18+
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 542n/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