BDBM50453654 CHEMBL2113697

SMILES CNC(=O)[C@@H]1C[C@@H](OS(C)(=O)=O)[C@@H](O1)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12

InChI Key InChIKey=VCZVXXITTLJVMQ-UHFFFAOYSA-N

Data  3 KI

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50453654   

TargetAdenosine receptor A1(Rat)
National Institute of Diabetes

Curated by ChEMBL
LigandPNGBDBM50453654(CHEMBL2113697)
Affinity DataKi:  1.29E+3nMAssay Description:Binding affinity against adenosine A1 receptor from rat brain.More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/29/2012
Entry Details Article
PubMed
TargetAdenosine receptor A3(Rat)
National Institute of Diabetes

Curated by ChEMBL
LigandPNGBDBM50453654(CHEMBL2113697)
Affinity DataKi:  7.27E+3nMAssay Description:Binding affinity against adenosine A3 receptor from rat brain.More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/29/2012
Entry Details Article
PubMed
TargetAdenosine receptor A2a(Rat)
National Institute of Diabetes

Curated by ChEMBL
LigandPNGBDBM50453654(CHEMBL2113697)
Affinity DataKi:  4.19E+4nMAssay Description:Binding affinity against adenosine A2A receptor from rat brain.More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/29/2012
Entry Details Article
PubMed