BDBM658497 US20240083904, Example 2.4

SMILES COc1cc(cc(C)n1)-c1c(nc2ccc(nn12)C(=O)NCC(C)(C)O)-c1cccc(c1)C#N

InChI Key InChIKey=OMHQGFDQXAGVRK-UHFFFAOYSA-N

Data  4 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 4 hits for monomerid = 658497   

TargetAdenosine receptor A2a(Human)
Adorx Therapeutics

US Patent
LigandPNGBDBM658497(US20240083904, Example 2.4)
Affinity DataKi:  2.30nMAssay Description:All FRET binding experiments were conducted at room temperature in white 384-well plates, in assay binding buffer containing 1× LabMed (Cisbio, Franc...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/30/2024
Entry Details
US Patent

TargetAdenosine receptor A2b(Human)
Adorx Therapeutics

US Patent
LigandPNGBDBM658497(US20240083904, Example 2.4)
Affinity DataKi:  156nMAssay Description:All FRET binding experiments were conducted at room temperature in white 384-well plates, in assay binding buffer containing 1× LabMed (Cisbio, Franc...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/30/2024
Entry Details
US Patent

TargetAdenosine receptor A1(Human)
Adorx Therapeutics

US Patent
LigandPNGBDBM658497(US20240083904, Example 2.4)
Affinity DataKi:  286nMAssay Description:All FRET binding experiments were conducted at room temperature in white 384-well plates, in assay binding buffer containing 1× LabMed (Cisbio, Franc...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/30/2024
Entry Details
US Patent

TargetAdenosine receptor A3(Human)
Adorx Therapeutics

US Patent
LigandPNGBDBM658497(US20240083904, Example 2.4)
Affinity DataKi: >1.00E+3nMAssay Description:All FRET binding experiments were conducted at room temperature in white 384-well plates, in assay binding buffer containing 1× LabMed (Cisbio, Franc...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/30/2024
Entry Details
US Patent