BDBM50389129 CHEMBL2064661

SMILES CNC(=O)[C@@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCc3cccc(Cl)c3)nc(nc12)C#Cc1ccc2ccc3cccc4ccc1c2c34

InChI Key InChIKey=VNRPOGNOYODSAV-UHFFFAOYSA-N

Data  3 KI  3 EC50

  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 6 hits for monomerid = 50389129   

TargetAdenosine receptor A3(Human)
Shanghaitech University

Curated by ChEMBL
LigandPNGBDBM50389129(CHEMBL2064661)
Affinity DataEC50:  13nMAssay Description:Agonist activity at adenosine A3 receptor (unknown origin) expressed in serum starved CHO cells assessed as increase in cell survival after 24 hrs by...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/22/2021
Entry Details Article
PubMed
TargetAdenosine receptor A3(Mouse)
National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL
LigandPNGBDBM50389129(CHEMBL2064661)
Affinity DataKi:  48nMAssay Description:Displacement of [3H]CGS21680 from mouse adenosine A3 receptor expressed in HEK293 cells after 60 mins by liquid scintillation countingMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/8/2013
Entry Details Article
PubMed
TargetAdenosine receptor A3(Human)
Shanghaitech University

Curated by ChEMBL
LigandPNGBDBM50389129(CHEMBL2064661)
Affinity DataKi:  68nMAssay Description:Displacement of [3H]I-AB-MECA from human recombinant adenosine A3 receptor expressed in CHO cells after 60 mins by gamma countingMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/8/2013
Entry Details Article
PubMed
TargetAdenosine receptor A3(Human)
Shanghaitech University

Curated by ChEMBL
LigandPNGBDBM50389129(CHEMBL2064661)
Affinity DataEC50:  200nMAssay Description:Agonist activity at human adenosine A3 receptor expressed in FlpIn-CHO cells assessed as inhibition of forskolin-mediated cAMP accumulation preincuba...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/22/2021
Entry Details Article
PubMed
TargetAdenosine receptor A3(Human)
Shanghaitech University

Curated by ChEMBL
LigandPNGBDBM50389129(CHEMBL2064661)
Affinity DataEC50:  631nMAssay Description:Agonist activity at human adenosine A3 receptor expressed in FlpIn-CHO cells assessed as increase in ERK1/2 phosphorylation after 5 mins by alphascre...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/22/2021
Entry Details Article
PubMed
TargetAdenosine receptor A2a(Human)
National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL
LigandPNGBDBM50389129(CHEMBL2064661)
Affinity DataKi:  3.11E+3nMAssay Description:Displacement of [3H]CGS21680 from human recombinant adenosine A2A receptor expressed in HEK293 cells after 60 mins by liquid scintillation countingMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/8/2013
Entry Details Article
PubMed