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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Dopamine receptors; D2 & D4' and Ligand = 'BDBM50156929'   
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
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50156929
PNG
(CHEMBL3794079)
Show SMILES Cc1ccc(CN2CCO[C@H](CSc3ccccc3)C2)cc1C |r|
Show InChI InChI=1/C20H25NOS/c1-16-8-9-18(12-17(16)2)13-21-10-11-22-19(14-21)15-23-20-6-4-3-5-7-20/h3-9,12,19H,10-11,13-15H2,1-2H3/t19-/s2
Reactome pathway
KEGG

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
7.40n/an/an/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Displacement of [3H]-Spiperone from human recombinant dopamine D4 receptor expressed in CHOK1 cells


Bioorg Med Chem Lett 26: 2481-8 (2016)


BindingDB Entry DOI: 10.7270/Q2G44S5M
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50156929
PNG
(CHEMBL3794079)
Show SMILES Cc1ccc(CN2CCO[C@H](CSc3ccccc3)C2)cc1C |r|
Show InChI InChI=1/C20H25NOS/c1-16-8-9-18(12-17(16)2)13-21-10-11-22-19(14-21)15-23-20-6-4-3-5-7-20/h3-9,12,19H,10-11,13-15H2,1-2H3/t19-/s2
Reactome pathway
KEGG

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 27n/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Displacement of [3H]-Spiperone from human recombinant dopamine D4 receptor expressed in CHOK1 cells


Bioorg Med Chem Lett 26: 2481-8 (2016)


BindingDB Entry DOI: 10.7270/Q2G44S5M
More data for this
Ligand-Target Pair