BDBM50558738 CHEMBL4746617

SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(Nc3ccc(CNC(=S)Nc4ccc(cc4)N=C=S)cc3)ncnc12

InChI Key InChIKey=QHBDGFBJMKRHNZ-UHFFFAOYSA-N

Data  5 EC50

  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 5 hits for monomerid = 50558738   

TargetAdenosine receptor A1(Human)
Monash University

Curated by ChEMBL
LigandPNGBDBM50558738(CHEMBL4746617)
Affinity DataEC50:  1.60nMAssay Description:Irreversible agonist activity at human adenosine A1 receptor expressed in Flp-In-CHO cells assessed as stimulation of ERK1/2 phosphorylation incubate...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/27/2022
Entry Details Article
PubMed
TargetAdenosine receptor A3(Human)
Monash University

Curated by ChEMBL
LigandPNGBDBM50558738(CHEMBL4746617)
Affinity DataEC50:  45nMAssay Description:Irreversible agonist activity at human adenosine A3 receptor expressed in Flp-In-CHO cells assessed as effect on forskolin-induced cAMP accumulation ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/27/2022
Entry Details Article
PubMed
TargetAdenosine receptor A1(Human)
Monash University

Curated by ChEMBL
LigandPNGBDBM50558738(CHEMBL4746617)
Affinity DataEC50:  55nMAssay Description:Irreversible agonist activity at human adenosine A1 receptor expressed in Flp-In-CHO cells assessed as effect on forskolin-induced cAMP accumulation ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/27/2022
Entry Details Article
PubMed
TargetAdenosine receptor A2a(Human)
Monash University

Curated by ChEMBL
LigandPNGBDBM50558738(CHEMBL4746617)
Affinity DataEC50:  68nMAssay Description:Irreversible agonist activity at human adenosine A2A receptor expressed in Flp-In-CHO cells assessed as effect on forskolin-induced cAMP accumulation...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/27/2022
Entry Details Article
PubMed
TargetAdenosine receptor A2b(Human)
Monash University

Curated by ChEMBL
LigandPNGBDBM50558738(CHEMBL4746617)
Affinity DataEC50:  224nMAssay Description:Irreversible agonist activity at human adenosine A2B receptor expressed in Flp-In-CHO cells assessed as effect on forskolin-induced cAMP accumulation...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/27/2022
Entry Details Article
PubMed