BDBM618951 US20230293517, Example 16.8

SMILES CC(C)c1cc(cc(C)n1)-c1sc(NC(=O)N2CC3(COC3)C2)nc1-c1cccc(c1)C#N

InChI Key InChIKey=NNZPWUYJBVKUHT-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 = 618951   

TargetAdenosine receptor A2a(Human)
Adorx Therapeutics

US Patent
LigandPNGBDBM618951(US20230293517, Example 16.8)
Affinity DataKi:  0.130nMAssay 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
In Depth
Date in BDB:
10/30/2023
Entry Details
US Patent

TargetAdenosine receptor A2b(Human)
Adorx Therapeutics

US Patent
LigandPNGBDBM618951(US20230293517, Example 16.8)
Affinity DataKi:  1.10nMAssay 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
In Depth
Date in BDB:
10/30/2023
Entry Details
US Patent

TargetAdenosine receptor A1(Human)
Adorx Therapeutics

US Patent
LigandPNGBDBM618951(US20230293517, Example 16.8)
Affinity DataKi:  6nMAssay 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
In Depth
Date in BDB:
10/30/2023
Entry Details
US Patent

TargetAdenosine receptor A3(Human)
Adorx Therapeutics

US Patent
LigandPNGBDBM618951(US20230293517, Example 16.8)
Affinity DataKi:  537nMAssay 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
In Depth
Date in BDB:
10/30/2023
Entry Details
US Patent