BDBM50553402 CHEMBL4759461

SMILES Cc1cccnc1CNC(=O)c1c(N)nc(nc1OCCF)-c1ccco1

InChI Key InChIKey=RALRYJLRCWEZLS-UHFFFAOYSA-N

Data  3 KI  1 IC50

  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 = 50553402   

TargetAdenosine receptor A2a(Human)
Fudan University

Curated by ChEMBL
LigandPNGBDBM50553402(CHEMBL4759461)
Affinity DataKi:  1.30nMAssay Description:Inhibition of FRET-labelled CA200645 binding to human adenosine 2A receptor expressed in CHO cells incubated for 2 hr by TR-FRET assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/25/2022
Entry Details Article
PubMed
TargetAdenosine receptor A3(Human)
Fudan University

Curated by ChEMBL
LigandPNGBDBM50553402(CHEMBL4759461)
Affinity DataKi:  62nMAssay Description:Inhibition of FRET-labelled CA200645 binding to human adenosine A3 receptor expressed in CHO cells incubated for 2 hr by TR-FRET assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/25/2022
Entry Details Article
PubMed
TargetAdenosine receptor A2a(Human)
Fudan University

Curated by ChEMBL
LigandPNGBDBM50553402(CHEMBL4759461)
Affinity DataIC50: 200nMAssay Description:Antagonist activity at adenosine 2A receptor in human blood assessed as reversal of NECA/LPS-stimulated TNF-alpha release incubated for 5 hrsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/25/2022
Entry Details Article
PubMed
TargetAdenosine receptor A1(Human)
Fudan University

Curated by ChEMBL
LigandPNGBDBM50553402(CHEMBL4759461)
Affinity DataKi:  260nMAssay Description:Inhibition of FRET-labelled CA200645 binding to human adenosine A1 receptor expressed in CHO cells incubated for 2 hr by TR-FRET assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/25/2022
Entry Details Article
PubMed