BDBM618838 US20230293517, Example 6.68

SMILES Cc1cc(-c2sc(NC(=O)N3CC(C)(C3)C#N)nc2-c2cccc(c2)C#N)c(F)c(C)n1

InChI Key InChIKey=KGHZTSSHTDNABC-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 = 618838   

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

US Patent
LigandPNGBDBM618838(US20230293517, Example 6.68)
Affinity DataKi:  0.360nMAssay 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
LigandPNGBDBM618838(US20230293517, Example 6.68)
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(Homo sapiens (Human))
Adorx Therapeutics

US Patent
LigandPNGBDBM618838(US20230293517, Example 6.68)
Affinity DataKi:  30nMAssay 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
LigandPNGBDBM618838(US20230293517, Example 6.68)
Affinity DataKi:  217nMAssay 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