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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'D(2) dopamine receptor' and Ligand = 'BDBM50426661'   
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))
BDBM50426661
PNG
(CHEMBL2326480)
Show SMILES COc1cccc(CN2CCc3cc4nc(N)sc4cc3CC2)c1
Show InChI InChI=1S/C19H21N3OS/c1-23-16-4-2-3-13(9-16)12-22-7-5-14-10-17-18(24-19(20)21-17)11-15(14)6-8-22/h2-4,9-11H,5-8,12H2,1H3,(H2,20,21)
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PC cid
PC sid
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Similars

Article
PubMed
34n/an/an/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [3H]raclopride from human D2 dopamine receptor expressed in CHO cell membranes


Bioorg Med Chem Lett 23: 543-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.11.023
BindingDB Entry DOI: 10.7270/Q2639R2X
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50426661
PNG
(CHEMBL2326480)
Show SMILES COc1cccc(CN2CCc3cc4nc(N)sc4cc3CC2)c1
Show InChI InChI=1S/C19H21N3OS/c1-23-16-4-2-3-13(9-16)12-22-7-5-14-10-17-18(24-19(20)21-17)11-15(14)6-8-22/h2-4,9-11H,5-8,12H2,1H3,(H2,20,21)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 900n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at human D2 dopamine receptor expressed in CHO cell membrane by GTPgammaS-binding assay


Bioorg Med Chem Lett 23: 543-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.11.023
BindingDB Entry DOI: 10.7270/Q2639R2X
More data for this
Ligand-Target Pair