BDBM50237773 CHEMBL4080205

SMILES CNC(=O)[C@H]1[Se][C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3ccccc3Cl)ncnc12

InChI Key InChIKey=BQVQDNFQERKJCJ-UHFFFAOYSA-N

Data  3 KI

  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 = 50237773   

TargetAdenosine receptor A3(Human)
Seoul National University

Curated by ChEMBL
LigandPNGBDBM50237773(CHEMBL4080205)
Affinity DataKi:  4.40nMAssay Description:Displacement of [125I]I-AB-MECA from human adenosine A3 receptor expressed in CHO cells after 60 mins by gamma counting analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/23/2019
Entry Details Article
PubMed
TargetAdenosine receptor A1(Human)
Seoul National University

Curated by ChEMBL
LigandPNGBDBM50237773(CHEMBL4080205)
Affinity DataKi:  1.09E+3nMAssay Description:Displacement of [3H]R-PLA from human adenosine A1 receptor expressed in CHO cells after 60 mins by liquid scintillation analyzerMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/23/2019
Entry Details Article
PubMed
TargetAdenosine receptor A2a(Human)
Seoul National University

Curated by ChEMBL
LigandPNGBDBM50237773(CHEMBL4080205)
Affinity DataKi:  1.16E+3nMAssay Description:Displacement of [3H]CGS21680 from human adenosine A2A receptor expressed in HEK293 cells after 60 mins by liquid scintillation analyzerMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/23/2019
Entry Details Article
PubMed