BDBM50513545 CHEMBL4576915

SMILES Nc1nc(N\N=C\c2ccc(OCc3ccc(F)cc3)cc2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O

InChI Key InChIKey=UYHNVMOFUPUSHA-UHFFFAOYSA-N

Data  2 KI  1 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 3 hits for monomerid = 50513545   

TargetAdenosine receptor A2a(Human)
National Engineering Research Center For The Emergency Drug

Curated by ChEMBL
LigandPNGBDBM50513545(CHEMBL4576915)
Affinity DataEC50:  4.10nMAssay Description:Agonist activity at human adenosine receptor A2A expressed in HEK293 cells assessed as cAMP accumulation incubated for 30 mins by Eu-cAMP tracer-base...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/21/2021
Entry Details Article
PubMed
TargetAdenosine receptor A2a(Human)
National Engineering Research Center For The Emergency Drug

Curated by ChEMBL
LigandPNGBDBM50513545(CHEMBL4576915)
Affinity DataKi:  5.5nMAssay Description:Displacement of [3H]CGS21680 from human cloned adenosine receptor A2A expressed in HEK-293 cell membrane incubated for 60 mins by microbeta counting ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/21/2021
Entry Details Article
PubMed
TargetAdenosine receptor A1(Human)
National Engineering Research Center For The Emergency Drug

Curated by ChEMBL
LigandPNGBDBM50513545(CHEMBL4576915)
Affinity DataKi:  70nMAssay Description:Displacement of [3H]DPCPX from human cloned adenosine receptor A1 expressed in CHO-K1 cell membranes incubated for 60 mins by microbeta counting meth...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/21/2021
Entry Details Article
PubMed