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SMILES: CN(C)C(=O)c1cccc(CN2CCc3cc4nc(N)sc4cc3CC2)c1

InChI Key: InChIKey=QYXHDXVSRFUNRT-UHFFFAOYSA-N

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50426659   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50426659
PNG
(CHEMBL2326482)
Show SMILES CN(C)C(=O)c1cccc(CN2CCc3cc4nc(N)sc4cc3CC2)c1
Show InChI InChI=1S/C21H24N4OS/c1-24(2)20(26)17-5-3-4-14(10-17)13-25-8-6-15-11-18-19(27-21(22)23-18)12-16(15)7-9-25/h3-5,10-12H,6-9,13H2,1-2H3,(H2,22,23)
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Article
PubMed
42n/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))
BDBM50426659
PNG
(CHEMBL2326482)
Show SMILES CN(C)C(=O)c1cccc(CN2CCc3cc4nc(N)sc4cc3CC2)c1
Show InChI InChI=1S/C21H24N4OS/c1-24(2)20(26)17-5-3-4-14(10-17)13-25-8-6-15-11-18-19(27-21(22)23-18)12-16(15)7-9-25/h3-5,10-12H,6-9,13H2,1-2H3,(H2,22,23)
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PubMed
n/an/a 1.00E+3n/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
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50426659
PNG
(CHEMBL2326482)
Show SMILES CN(C)C(=O)c1cccc(CN2CCc3cc4nc(N)sc4cc3CC2)c1
Show InChI InChI=1S/C21H24N4OS/c1-24(2)20(26)17-5-3-4-14(10-17)13-25-8-6-15-11-18-19(27-21(22)23-18)12-16(15)7-9-25/h3-5,10-12H,6-9,13H2,1-2H3,(H2,22,23)
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PubMed
n/an/a>3.30E+4n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human ERG


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