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Compile Data Set for Download or QSAR

Found 5 hits Enz. Inhib. hit(s) with Target = 'D(4) dopamine receptor' and Ligand = 'BDBM50189842'   
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))
BDBM50189842
PNG
(2-[4-(4-chlorophenyl)piperazin-1-yl)methyl]imidazo...)
Show SMILES Clc1ccc(cc1)N1CCN(Cc2cn3ccccc3n2)CC1
Show InChI InChI=1S/C18H19ClN4/c19-15-4-6-17(7-5-15)22-11-9-21(10-12-22)13-16-14-23-8-2-1-3-18(23)20-16/h1-8,14H,9-13H2
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7n/an/an/an/an/an/an/an/a



Laboratoire de Chimie Th�rapeutique

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human dopamine receptor D4.4 in CHO cell membrane


J Med Chem 49: 3938-47 (2006)


Article DOI: 10.1021/jm060166w
BindingDB Entry DOI: 10.7270/Q20G3KZ5
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50189842
PNG
(2-[4-(4-chlorophenyl)piperazin-1-yl)methyl]imidazo...)
Show SMILES Clc1ccc(cc1)N1CCN(Cc2cn3ccccc3n2)CC1
Show InChI InChI=1S/C18H19ClN4/c19-15-4-6-17(7-5-15)22-11-9-21(10-12-22)13-16-14-23-8-2-1-3-18(23)20-16/h1-8,14H,9-13H2
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7n/an/an/an/an/an/an/an/a



Palack£ University

Curated by ChEMBL


Assay Description
Agonist activity at dopamine D4 receptor (unknown origin)


Eur J Med Chem 181: (2019)


Article DOI: 10.1016/j.ejmech.2019.111569
BindingDB Entry DOI: 10.7270/Q2H41VXG
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50189842
PNG
(2-[4-(4-chlorophenyl)piperazin-1-yl)methyl]imidazo...)
Show SMILES Clc1ccc(cc1)N1CCN(Cc2cn3ccccc3n2)CC1
Show InChI InChI=1S/C18H19ClN4/c19-15-4-6-17(7-5-15)22-11-9-21(10-12-22)13-16-14-23-8-2-1-3-18(23)20-16/h1-8,14H,9-13H2
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7n/an/an/an/an/an/an/an/a



Palack£ University

Curated by ChEMBL


Assay Description
Agonist activity at dopamine D4 receptor (unknown origin)


Eur J Med Chem 181: (2019)


Article DOI: 10.1016/j.ejmech.2019.111569
BindingDB Entry DOI: 10.7270/Q2H41VXG
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50189842
PNG
(2-[4-(4-chlorophenyl)piperazin-1-yl)methyl]imidazo...)
Show SMILES Clc1ccc(cc1)N1CCN(Cc2cn3ccccc3n2)CC1
Show InChI InChI=1S/C18H19ClN4/c19-15-4-6-17(7-5-15)22-11-9-21(10-12-22)13-16-14-23-8-2-1-3-18(23)20-16/h1-8,14H,9-13H2
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n/an/an/an/a 1.80n/an/an/an/a



Laboratoire de Chimie Th�rapeutique

Curated by ChEMBL


Assay Description
Activity at human D4.2 receptor assessed as [3H]thymidine incorporation in CHO 10001 cells by mitogenesis assay


J Med Chem 49: 3938-47 (2006)


Article DOI: 10.1021/jm060166w
BindingDB Entry DOI: 10.7270/Q20G3KZ5
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50189842
PNG
(2-[4-(4-chlorophenyl)piperazin-1-yl)methyl]imidazo...)
Show SMILES Clc1ccc(cc1)N1CCN(Cc2cn3ccccc3n2)CC1
Show InChI InChI=1S/C18H19ClN4/c19-15-4-6-17(7-5-15)22-11-9-21(10-12-22)13-16-14-23-8-2-1-3-18(23)20-16/h1-8,14H,9-13H2
PDB

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KEGG

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PC sid
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Article
PubMed
n/an/an/an/a 2.60n/an/an/an/a



Laboratoire de Chimie Th�rapeutique

Curated by ChEMBL


Assay Description
Activity at human D4.4 receptor expressed in CHOK1 cells assessed as stimulation of [35S]GTP-gammaS binding


J Med Chem 49: 3938-47 (2006)


Article DOI: 10.1021/jm060166w
BindingDB Entry DOI: 10.7270/Q20G3KZ5
More data for this
Ligand-Target Pair