BDBM50496311 CHEMBL3125718

SMILES [H][C@@]12C[C@]1([H])[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCc3cccc(Cl)c3)nc(nc12)C#CCCCC

InChI Key InChIKey=OPZBDJUNLONFDN-UHFFFAOYSA-N

Data  3 KI

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50496311   

TargetAdenosine receptor A3(Human)
Seoul National University

Curated by ChEMBL
LigandPNGBDBM50496311(CHEMBL3125718)
Affinity DataKi:  7.80nMAssay Description:Displacement of [125I]-I-AB-MECA from recombinant human adenosine A3 receptor expressed in CHO cells after 60 mins by gamma counting analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
9/2/2020
Entry Details Article
PubMed
TargetAdenosine receptor A3(Rat)
Seoul National University

Curated by ChEMBL
LigandPNGBDBM50496311(CHEMBL3125718)
Affinity DataKi:  11nMAssay Description:Displacement of [125I]-I-AB-MECA from rat adenosine A3 receptor expressed in RBL-2H3 cells after 60 mins by gamma counting analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
9/2/2020
Entry Details Article
PubMed
TargetAdenosine receptor A2a(Human)
Seoul National University

Curated by ChEMBL
LigandPNGBDBM50496311(CHEMBL3125718)
Affinity DataKi:  3.31E+3nMAssay Description:Displacement of [3H]-CGS21680 from human adenosine A2A receptor expressed in HEK293 cells after 60 mins by scintillation counting analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
9/2/2020
Entry Details Article
PubMed