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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 = 'BDBM50092040'   
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))
BDBM50092040
PNG
(2-[4-(4-Chloro-benzyl)-piperazin-1-yl]-N-methyl-N-...)
Show SMILES CN(C(=O)CN1CCN(Cc2ccc(Cl)cc2)CC1)c1ccccc1
Show InChI InChI=1S/C20H24ClN3O/c1-22(19-5-3-2-4-6-19)20(25)16-24-13-11-23(12-14-24)15-17-7-9-18(21)10-8-17/h2-10H,11-16H2,1H3
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
59n/an/an/an/an/an/an/an/a



Department of Pharmaceutical Sciences, College of Pharmacy, University of Nebraska Medical Center , Omaha, Nebraska 68198-6125, United States.

Curated by ChEMBL


Assay Description
Inhibition of human dopamine D4 receptor


J Med Chem 60: 7233-7243 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00151
BindingDB Entry DOI: 10.7270/Q2P84FBZ
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50092040
PNG
(2-[4-(4-Chloro-benzyl)-piperazin-1-yl]-N-methyl-N-...)
Show SMILES CN(C(=O)CN1CCN(Cc2ccc(Cl)cc2)CC1)c1ccccc1
Show InChI InChI=1S/C20H24ClN3O/c1-22(19-5-3-2-4-6-19)20(25)16-24-13-11-23(12-14-24)15-17-7-9-18(21)10-8-17/h2-10H,11-16H2,1H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
59n/an/an/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Binding affinity at human Dopamine receptor D4 by [3H]- YM 09151 displacement.


Bioorg Med Chem Lett 10: 2119-22 (2000)


BindingDB Entry DOI: 10.7270/Q2SN0869
More data for this
Ligand-Target Pair