BDBM50559046 CHEMBL4743686

SMILES Cn1cc2c(nc(NC(=O)Nc3ccc(CC(=O)OCCCCNC(=S)Nc4ccc(-c5c6ccc(=O)cc-6oc6cc(O)ccc56)c(C(=O)O)c4)cc3)n3nc(-c4ccco4)nc23)n1

InChI Key InChIKey=DMKGPDIYPHHYPX-UHFFFAOYSA-N

Data  2 KI

  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 2 hits for monomerid = 50559046   

TargetAdenosine receptor A2a(Human)
University of Trieste

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50559046BDBM50559046(CHEMBL4743686)
Affinity DataKi:  60nMAssay Description:Displacement of [3H]CGS21680 from recombinant human A2AAR expressed in HEK293 cell membranesMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/27/2022
Entry Details Article
PubMed
TargetAdenosine receptor A3(Human)
University of Trieste

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50559046BDBM50559046(CHEMBL4743686)
Affinity DataKi:  74nMAssay Description:Displacement of [125I]AB-MEC from recombinant human A3R expressed in CHO cell membranesMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/27/2022
Entry Details Article
PubMed