BDBM626148 US11786528, Example 35

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

InChI Key InChIKey=ARFIQGOUMZSQLT-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 = 626148   

TargetAdenosine receptor A2a(Human)
Exscientia

US Patent
LigandPNGBDBM626148(US11786528, Example 35)
Affinity DataIC50: 4.20nMAssay 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
LigandPNGBDBM626148(US11786528, Example 35)
Affinity DataIC50: 290nMAssay 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
LigandPNGBDBM626148(US11786528, Example 35)
Affinity DataIC50: 530nMAssay 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
LigandPNGBDBM626148(US11786528, Example 35)
Affinity DataIC50: 4.70E+3nMAssay 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