BDBM626022 US11786528, Example 11

SMILES COc1cccc(Cn2cc3c(N)nc(nc3n2)-c2cnco2)c1

InChI Key InChIKey=XTIBNNVUTCNMBE-UHFFFAOYSA-N

Data  4 IC50

  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 4 hits for monomerid = 626022   

TargetAdenosine receptor A2a(Homo sapiens (Human))
Exscientia

US Patent
LigandPNGBDBM626022(US11786528, Example 11)
Affinity DataIC50:  4.90nMAssay Description:Affinity for the human adenosine receptor sub-types (A2a, A2b, A1 and A3) was determined by SPR as described in Aristotelous, T., et al, Methods in E...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetAdenosine receptor A3(Homo sapiens (Human))
Exscientia

US Patent
LigandPNGBDBM626022(US11786528, Example 11)
Affinity DataIC50:  2.10E+4nMAssay Description:Affinity for the human adenosine receptor sub-types (A2a, A2b, A1 and A3) was determined by SPR as described in Aristotelous, T., et al, Methods in E...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetAdenosine receptor A1(Homo sapiens (Human))
Exscientia

US Patent
LigandPNGBDBM626022(US11786528, Example 11)
Affinity DataIC50:  350nMAssay Description:Affinity for the human adenosine receptor sub-types (A2a, A2b, A1 and A3) was determined by SPR as described in Aristotelous, T., et al, Methods in E...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetAlpha-2B adrenergic receptor(Homo sapiens (Human))
Exscientia

US Patent
LigandPNGBDBM626022(US11786528, Example 11)
Affinity DataIC50:  580nMAssay Description:Affinity for the human adenosine receptor sub-types (A2a, A2b, A1 and A3) was determined by SPR as described in Aristotelous, T., et al, Methods in E...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent