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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 = 'BDBM50184795'   
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))
BDBM50184795
PNG
(1-(2-methoxyphenyl)-4-((1-phenyl-1H-pyrazol-4-yl)m...)
Show SMILES COc1ccccc1N1CCN(Cc2cnn(c2)-c2ccccc2)CC1
Show InChI InChI=1S/C21H24N4O/c1-26-21-10-6-5-9-20(21)24-13-11-23(12-14-24)16-18-15-22-25(17-18)19-7-3-2-4-8-19/h2-10,15,17H,11-14,16H2,1H3
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CHEMBL
MCE
PC cid
PC sid
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Similars

Article
PubMed
0.280n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human cloned dopamine D4 receptor expressed in CHO cells


Bioorg Med Chem Lett 16: 2955-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.075
BindingDB Entry DOI: 10.7270/Q21N80QX
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50184795
PNG
(1-(2-methoxyphenyl)-4-((1-phenyl-1H-pyrazol-4-yl)m...)
Show SMILES COc1ccccc1N1CCN(Cc2cnn(c2)-c2ccccc2)CC1
Show InChI InChI=1S/C21H24N4O/c1-26-21-10-6-5-9-20(21)24-13-11-23(12-14-24)16-18-15-22-25(17-18)19-7-3-2-4-8-19/h2-10,15,17H,11-14,16H2,1H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/an/a 0.600n/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
Intrinsic activity against dopamine D4 receptor assessed as [3H]thymidine uptake in CHO cells by mitogenesis assay


Bioorg Med Chem Lett 16: 2955-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.075
BindingDB Entry DOI: 10.7270/Q21N80QX
More data for this
Ligand-Target Pair