BDBM618870 US20230293517, Example 6.100

SMILES Cc1cc(cc(Cl)n1)-c1sc(NC(=O)N2CC3(COC3)C2)nc1-c1cccc(c1)C#N

InChI Key InChIKey=GRUNZMAGIRVZPR-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 = 618870   

TargetAdenosine receptor A2a(Human)
Adorx Therapeutics

US Patent
LigandPNGBDBM618870(US20230293517, Example 6.100)
Affinity DataKi:  0.160nMAssay Description:All FRET binding experiments were conducted at room temperature in white 384-well plates, in assay binding buffer containing 1×LabMed (Cisbio, France...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent


TargetAdenosine receptor A2b(Human)
Adorx Therapeutics

US Patent
LigandPNGBDBM618870(US20230293517, Example 6.100)
Affinity DataKi:  0.600nMAssay Description:All FRET binding experiments were conducted at room temperature in white 384-well plates, in assay binding buffer containing 1×LabMed (Cisbio, France...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent


TargetAdenosine receptor A1(Human)
Adorx Therapeutics

US Patent
LigandPNGBDBM618870(US20230293517, Example 6.100)
Affinity DataKi:  25nMAssay Description:All FRET binding experiments were conducted at room temperature in white 384-well plates, in assay binding buffer containing 1×LabMed (Cisbio, France...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent


TargetAdenosine receptor A3(Human)
Adorx Therapeutics

US Patent
LigandPNGBDBM618870(US20230293517, Example 6.100)
Affinity DataKi:  549nMAssay Description:All FRET binding experiments were conducted at room temperature in white 384-well plates, in assay binding buffer containing 1×LabMed (Cisbio, France...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent