BDBM626206 US11786528, Example 46

SMILES Nc1nc(nc2nn(Cc3cccc(CO)c3)cc12)-c1ccsn1

InChI Key InChIKey=VNZNUXXOZMSJKJ-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 = 626206   

TargetAdenosine receptor A2a(Human)
Exscientia

US Patent
LigandPNGBDBM626206(US11786528, Example 46)
Affinity DataIC50: 37nMAssay 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
In Depth
Date in BDB:
11/29/2023
Entry Details
US Patent

TargetAlpha-2B adrenergic receptor(Human)
Exscientia

US Patent
LigandPNGBDBM626206(US11786528, Example 46)
Affinity DataIC50: 1.00E+5nMAssay 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
In Depth
Date in BDB:
11/29/2023
Entry Details
US Patent

TargetAdenosine receptor A1(Human)
Exscientia

US Patent
LigandPNGBDBM626206(US11786528, Example 46)
Affinity DataIC50: 1.00E+5nMAssay 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
In Depth
Date in BDB:
11/29/2023
Entry Details
US Patent

TargetAdenosine receptor A3(Human)
Exscientia

US Patent
LigandPNGBDBM626206(US11786528, Example 46)
Affinity DataIC50: 1.00E+5nMAssay 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
In Depth
Date in BDB:
11/29/2023
Entry Details
US Patent