BDBM50496310 CHEMBL3125713

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

InChI Key InChIKey=IKMHKZHQEKVSOG-UHFFFAOYSA-N

Data  3 KI  1 EC50

  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 4 hits for monomerid = 50496310   

TargetAdenosine receptor A3(Human)
Seoul National University

Curated by ChEMBL
LigandPNGBDBM50496310(CHEMBL3125713)
Affinity DataEC50:  16nMAssay Description:Partial agonist activity at recombinant human adenosine A3 receptor expressed in CHO cells assessed as stimulation of forskolin-induced intracellular...More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/2/2020
Entry Details Article
PubMed
TargetAdenosine receptor A3(Human)
Seoul National University

Curated by ChEMBL
LigandPNGBDBM50496310(CHEMBL3125713)
Affinity DataKi:  6.70nMAssay 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
LigandPNGBDBM50496310(CHEMBL3125713)
Affinity DataKi:  176nMAssay 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
LigandPNGBDBM50496310(CHEMBL3125713)
Affinity DataKi:  2.86E+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