BDBM50382489 CHEMBL2024112::US10988455, Example 1(xiii)

SMILES Nc1nnc(-c2cc(Cl)cc(Cl)c2)c(n1)-c1ccccc1

InChI Key InChIKey=HMAOALRIGFSFDY-UHFFFAOYSA-N

Data  5 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 5 hits for monomerid = 50382489   

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

Curated by ChEMBL
LigandPNGBDBM50382489(CHEMBL2024112 | US10988455, Example 1(xiii))
Affinity DataKi:  3.98nMAssay 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
LigandPNGBDBM50382489(CHEMBL2024112 | US10988455, Example 1(xiii))
Affinity DataKi:  3.98nMAssay 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 A2b(Homo sapiens (Human))
Heptares Therapeutics

Curated by ChEMBL
LigandPNGBDBM50382489(CHEMBL2024112 | US10988455, Example 1(xiii))
Affinity DataKi:  39.8nMAssay Description:Inhibition of adenosine A2B receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A1(Homo sapiens (Human))
Heptares Therapeutics

Curated by ChEMBL
LigandPNGBDBM50382489(CHEMBL2024112 | US10988455, Example 1(xiii))
Affinity DataKi:  43.6nMAssay 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
LigandPNGBDBM50382489(CHEMBL2024112 | US10988455, Example 1(xiii))
Affinity DataKi:  43.7nMAssay 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