BDBM50382984 CHEMBL2030687

SMILES CCCc1cc2c(cc1OC(=O)C)OC=C(C2=O)c3nc(cs3)C

InChI Key InChIKey=FVMKJEVPLWCLMC-UHFFFAOYSA-N

Data  1 KI

PDB links: 1 PDB ID matches this monomer.

  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 1 hit for monomerid = 50382984   

TargetAdenosine receptor A2a(Human)
Heptares Therapeutics

Curated by ChEMBL
LigandPNGBDBM50382984(CHEMBL2030687)
Affinity DataKi:  3.09nMAssay Description:Displacement of [3H]ZM241385 from human A2A receptor expressed in HEK293 cells after 1 hr by liquid scintillation countingMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/7/2013
Entry Details Article
PubMedPDB3D3D Structure (crystal)