BDBM618952 US20230293517, Example 16.9

SMILES CCc1cc(cc(C)n1)-c1sc(NC(=O)N2CC3(COC3)C2)nc1-c1cccc(c1)C#N

InChI Key InChIKey=HYSLTRJRKJKCIP-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 = 618952   

TargetAdenosine receptor A2a(Homo sapiens (Human))
Adorx Therapeutics

US Patent
LigandPNGBDBM618952(US20230293517, Example 16.9)
Affinity DataKi:  0.100nMAssay 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(Homo sapiens (Human))
Adorx Therapeutics

US Patent
LigandPNGBDBM618952(US20230293517, Example 16.9)
Affinity DataKi:  0.800nMAssay 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(Homo sapiens (Human))
Adorx Therapeutics

US Patent
LigandPNGBDBM618952(US20230293517, Example 16.9)
Affinity DataKi:  9nMAssay 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(Homo sapiens (Human))
Adorx Therapeutics

US Patent
LigandPNGBDBM618952(US20230293517, Example 16.9)
Affinity DataKi:  350nMAssay 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