BDBM50532554 CHEMBL3934661

SMILES CN1CCN(CC1)CCNc2nc(n3c(n2)nc(n3)c4ccco4)N

InChI Key InChIKey=NLHRMBTYEDTOKC-UHFFFAOYSA-N

Data  2 KI

PDB links: 1 PDB ID matches this monomer.

  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 2 hits for monomerid = 50532554   

TargetAdenosine receptor A2a(Human)
Heptares Therapeutics

Curated by ChEMBL
LigandPNGBDBM50532554(CHEMBL3934661)
Affinity DataKi:  31nMAssay Description:Displacement of [3H]-ZM241385 from wild type human adenosine receptor A2a expressed in HEK293 cell membranes after 240 mins by scintillation countingMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/27/2021
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetAdenosine receptor A2a(Human)
Heptares Therapeutics

Curated by ChEMBL
LigandPNGBDBM50532554(CHEMBL3934661)
Affinity DataKi:  31nMAssay Description:Displacement of [3H]-ZM241385 from wild type human adenosine receptor A2a expressed in HEK293 cell membranes after 240 mins by scintillation countingMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/27/2021
Entry Details Article
PubMedPDB3D3D Structure (crystal)