BDBM50657841 CHEMBL6168441

SMILES CCCCC#Cc1ccc(-c2nc3c(N)nc(C#CCCCC)nc3n2[C@H]2[C@H](O)[C@H](O)[C@@H]3C[C@@H]32)cc1

InChI Key InChIKey=VXRXHDKWIIPFTF-UHFFFAOYSA-N

Data  2 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 2 hits for monomerid = 50657841   

TargetAdenosine receptor A3(Human)
Seoul National University

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50657841BDBM50657841(CHEMBL6168441)
Affinity DataKi:  4.60nMAssay Description:Displacement of [3H]-NECA from human A3AR extracted from human HeLa cell membrane assessed as inhibition constant incubated for 180 mins by beta scin...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
6/5/2026
Entry Details
PubMed
TargetAdenosine receptor A2a(Human)
Seoul National University

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50657841BDBM50657841(CHEMBL6168441)
Affinity DataKi:  85nMAssay Description:Displacement of [3H]-ZM241385 from human A2AAR extracted from human HeLa cell membrane assessed as inhibition constant incubated for 30 mins by beta ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
6/5/2026
Entry Details
PubMed