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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'D(2) dopamine receptor' and Ligand = 'BDBM50441091'   
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(2) dopamine receptor


(Homo sapiens (Human))
BDBM50441091
PNG
(CHEMBL2430438)
Show SMILES COc1ccccc1N1CCN(CCCCn2cc(nn2)-c2ccc(cc2)-c2cnco2)CC1
Show InChI InChI=1S/C26H30N6O2/c1-33-25-7-3-2-6-24(25)31-16-14-30(15-17-31)12-4-5-13-32-19-23(28-29-32)21-8-10-22(11-9-21)26-18-27-20-34-26/h2-3,6-11,18-20H,4-5,12-17H2,1H3
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Similars

Article
PubMed
137n/an/an/an/an/an/an/an/a



Universidad de Santiago de Compostela

Curated by ChEMBL


Assay Description
Displacement of [3H]-spiperone from cloned human dopamine D2 receptor


Bioorg Med Chem Lett 23: 5586-91 (2013)


Article DOI: 10.1016/j.bmcl.2013.08.047
BindingDB Entry DOI: 10.7270/Q2KH0PR6
More data for this
Ligand-Target Pair