BDBM50527830 CHEMBL4476812

SMILES [H][C@@]12C[C@]1([H])[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCCc3ccc(O)c(OC)c3)nc(nc12)C#Cc1ccc(Cl)s1

InChI Key InChIKey=YLLYWESWXSAFKQ-UHFFFAOYSA-N

Data  3 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 3 hits for monomerid = 50527830   

TargetAdenosine receptor A3(Human)
Medical College of Wisconsin

Curated by ChEMBL
LigandPNGBDBM50527830(CHEMBL4476812)
Affinity DataKi:  9.5nMAssay Description:Displacement of [125I]I-AB-MECA from recombinant human A3AR expressed in HEK293 cell membranes measured after 60 mins by liquid scintillation countin...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/25/2021
Entry Details Article
PubMed
TargetAdenosine receptor A3(Mouse)
Medical College of Wisconsin

Curated by ChEMBL
LigandPNGBDBM50527830(CHEMBL4476812)
Affinity DataKi:  75nMAssay Description:Displacement of [125I]I-AB-MECA from recombinant mouse A3AR expressed in HEK293 cell membranes measured after 60 mins by liquid scintillation countin...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/25/2021
Entry Details Article
PubMed
TargetAdenosine receptor A1(Human)
Medical College of Wisconsin

Curated by ChEMBL
LigandPNGBDBM50527830(CHEMBL4476812)
Affinity DataKi:  649nMAssay Description:Displacement of [3H]R-PIA from recombinant human A1AR expressed in HEK293 cell membranes measured after 60 mins by liquid scintillation counting meth...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/25/2021
Entry Details Article
PubMed