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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 = 'BDBM50156964'   
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))
BDBM50156964
PNG
(CHEMBL3793375)
Show SMILES COc1ccc(CN2CCO[C@H](COc3ccc(F)cc3)C2)cc1 |r|
Show InChI InChI=1/C19H22FNO3/c1-22-17-6-2-15(3-7-17)12-21-10-11-23-19(13-21)14-24-18-8-4-16(20)5-9-18/h2-9,19H,10-14H2,1H3/t19-/s2
Reactome pathway
KEGG

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
13n/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))
BDBM50156964
PNG
(CHEMBL3793375)
Show SMILES COc1ccc(CN2CCO[C@H](COc3ccc(F)cc3)C2)cc1 |r|
Show InChI InChI=1/C19H22FNO3/c1-22-17-6-2-15(3-7-17)12-21-10-11-23-19(13-21)14-24-18-8-4-16(20)5-9-18/h2-9,19H,10-14H2,1H3/t19-/s2
Reactome pathway
KEGG

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 47n/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