BDBM618728 US20230293517, Example 4.6

SMILES COCC1(CCN(CC1)C(=O)Nc1nc(c(s1)-c1cc(C)nc(C)c1)-c1cccc(c1)C#N)C#N

InChI Key InChIKey=JDCZSDAVWDDCDJ-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 = 618728   

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

US Patent
LigandPNGBDBM618728(US20230293517, Example 4.6)
Affinity DataKi:  0.180nMAssay 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
LigandPNGBDBM618728(US20230293517, Example 4.6)
Affinity DataKi:  1.20nMAssay 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
LigandPNGBDBM618728(US20230293517, Example 4.6)
Affinity DataKi:  41nMAssay 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
LigandPNGBDBM618728(US20230293517, Example 4.6)
Affinity DataKi:  170nMAssay 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