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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 = 'BDBM50150136'   
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))
BDBM50150136
PNG
(1'-(1H-Benzoimidazol-2-ylmethyl)-1',2',3',4',5',6'...)
Show SMILES C(N1CCC(CC1)c1ccccn1)c1nc2ccccc2[nH]1
Show InChI InChI=1S/C18H20N4/c1-2-7-17-16(6-1)20-18(21-17)13-22-11-8-14(9-12-22)15-5-3-4-10-19-15/h1-7,10,14H,8-9,11-13H2,(H,20,21)
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PC cid
PC sid
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Similars

Article
PubMed
n/an/an/an/a 14n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro EC50 tested on HEK293 cells co-transfected with human Dopamine receptor D4.4 using FLIPR assay


J Med Chem 47: 3853-64 (2004)


Article DOI: 10.1021/jm030505a
BindingDB Entry DOI: 10.7270/Q24B3225
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50150136
PNG
(1'-(1H-Benzoimidazol-2-ylmethyl)-1',2',3',4',5',6'...)
Show SMILES C(N1CCC(CC1)c1ccccn1)c1nc2ccccc2[nH]1
Show InChI InChI=1S/C18H20N4/c1-2-7-17-16(6-1)20-18(21-17)13-22-11-8-14(9-12-22)15-5-3-4-10-19-15/h1-7,10,14H,8-9,11-13H2,(H,20,21)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 12n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human D4.4 receptor in HEK293 cells coexpressing Galphaqo5 by FLIPR


J Med Chem 49: 7450-65 (2006)


Article DOI: 10.1021/jm060662k
BindingDB Entry DOI: 10.7270/Q25X28MM
More data for this
Ligand-Target Pair