BDBM50638395 CHEMBL5557461

SMILES CCCCC#Cc1nc2c(N)nc(-c3ccco3)nc2n1[C@@H]1SC[C@@H](O)[C@H]1O

InChI Key

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50638395   

TargetAdenosine receptor A3(Human)
Seoul National University

Curated by ChEMBL
LigandPNGBDBM50638395(CHEMBL5557461)
Affinity DataKi:  1.60nMAssay Description:Displacement of radioligand I-AB-MECA from human adenosine A3 receptor expressed in CHO cell membrane incubated for 30 mins by microplate beta scinti...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
10/11/2025
Entry Details
PubMed
TargetAdenosine receptor A2a(Human)
Seoul National University

Curated by ChEMBL
LigandPNGBDBM50638395(CHEMBL5557461)
Affinity DataKi:  18nMAssay Description:Displacement of radioligand CGS21680 from human adenosine A2A receptor expressed in HEK293 cell membrane incubated for 30 mins by microplate beta sci...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
10/11/2025
Entry Details
PubMed
TargetAdenosine receptor A1(Human)
Seoul National University

Curated by ChEMBL
LigandPNGBDBM50638395(CHEMBL5557461)
Affinity DataKi:  268nMAssay Description:Displacement of radioligand R-PIA from human adenosine A1 receptor expressed in CHO cell membrane incubated for 30 mins by microplate beta scintillat...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
10/11/2025
Entry Details
PubMed
TargetAdenosine receptor A2b(Human)
Seoul National University

Curated by ChEMBL
LigandPNGBDBM50638395(CHEMBL5557461)
Affinity DataKi:  387nMAssay Description:Displacement of [3H]DPCPX from human adenosine A2B receptor expressed in HEK293 cell membrane incubated for 30 mins by microplate beta scintillation ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
10/11/2025
Entry Details
PubMed