BDBM50382495 CHEMBL2024118::US10988455, Example 1(clviii)

SMILES Cc1cc(cc(C)n1)-c1nnc(N)nc1-c1cccc(F)c1

InChI Key InChIKey=LYVNVEJCGRVTLE-UHFFFAOYSA-N

Data  4 KI

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50382495   

TargetAdenosine receptor A2a(Homo sapiens (Human))
Heptares Therapeutics

Curated by ChEMBL
LigandPNGBDBM50382495(CHEMBL2024118 | US10988455, Example 1(clviii))
Affinity DataKi:  10.5nMAssay Description:Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in HEK293 cells after 1 hr by liquid scintillation countingMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A2a(Homo sapiens (Human))
Heptares Therapeutics

Curated by ChEMBL
LigandPNGBDBM50382495(CHEMBL2024118 | US10988455, Example 1(clviii))
Affinity DataKi:  10.5nMAssay Description:All test compounds were prepared as a stock solution of 10 mM in 100% DMSO.Inhibition binding assays were performed using 2.5 μg of membranes pr...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetAdenosine receptor A1(Homo sapiens (Human))
Heptares Therapeutics

Curated by ChEMBL
LigandPNGBDBM50382495(CHEMBL2024118 | US10988455, Example 1(clviii))
Affinity DataKi:  110nMAssay Description:Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells after 1 hr by liquid scintillation countingMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A1(Homo sapiens (Human))
Heptares Therapeutics

Curated by ChEMBL
LigandPNGBDBM50382495(CHEMBL2024118 | US10988455, Example 1(clviii))
Affinity DataKi:  110nMAssay Description:All test compounds were prepared as a stock solution of 10 mM in 100% DMSO.Inhibition binding assays were performed using 2.5 μg of membranes pr...More data for this Ligand-Target Pair
In DepthDetails US Patent