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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 = 'BDBM50157066'   
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))
BDBM50157066
PNG
(CHEMBL3793131)
Show SMILES COc1ccc(CN2CCO[C@H](COc3cccc(c3)C#N)C2)cc1Cl |r|
Show InChI InChI=1/C20H21ClN2O3/c1-24-20-6-5-16(10-19(20)21)12-23-7-8-25-18(13-23)14-26-17-4-2-3-15(9-17)11-22/h2-6,9-10,18H,7-8,12-14H2,1H3/t18-/s2
Reactome pathway
KEGG

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
36n/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))
BDBM50157066
PNG
(CHEMBL3793131)
Show SMILES COc1ccc(CN2CCO[C@H](COc3cccc(c3)C#N)C2)cc1Cl |r|
Show InChI InChI=1/C20H21ClN2O3/c1-24-20-6-5-16(10-19(20)21)12-23-7-8-25-18(13-23)14-26-17-4-2-3-15(9-17)11-22/h2-6,9-10,18H,7-8,12-14H2,1H3/t18-/s2
Reactome pathway
KEGG

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 130n/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