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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 = 'BDBM50156952'   
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))
BDBM50156952
PNG
(CHEMBL3792728)
Show SMILES Fc1cc(CN2CCO[C@H](COc3ccccc3)C2)ccc1C(F)(F)F |r|
Show InChI InChI=1/C19H19F4NO2/c20-18-10-14(6-7-17(18)19(21,22)23)11-24-8-9-25-16(12-24)13-26-15-4-2-1-3-5-15/h1-7,10,16H,8-9,11-13H2/t16-/s2
Reactome pathway
KEGG

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
16n/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))
BDBM50156952
PNG
(CHEMBL3792728)
Show SMILES Fc1cc(CN2CCO[C@H](COc3ccccc3)C2)ccc1C(F)(F)F |r|
Show InChI InChI=1/C19H19F4NO2/c20-18-10-14(6-7-17(18)19(21,22)23)11-24-8-9-25-16(12-24)13-26-15-4-2-1-3-5-15/h1-7,10,16H,8-9,11-13H2/t16-/s2
Reactome pathway
KEGG

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 58n/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