BDBM618782 US20230293517, Example 6.12

SMILES CN1CC2(CCN(CC2)C(=O)Nc2nc(c(s2)-c2cc(C)nc(C)c2)-c2cccc(c2)C#N)OC1=O

InChI Key InChIKey=SRFDOJZWUVJKCF-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 = 618782   

TargetAdenosine receptor A2a(Human)
Adorx Therapeutics

US Patent
LigandPNGBDBM618782(US20230293517, Example 6.12)
Affinity DataKi:  0.230nMAssay 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
LigandPNGBDBM618782(US20230293517, Example 6.12)
Affinity DataKi:  2.40nMAssay 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
LigandPNGBDBM618782(US20230293517, Example 6.12)
Affinity DataKi:  137nMAssay 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
LigandPNGBDBM618782(US20230293517, Example 6.12)
Affinity DataKi:  298nMAssay 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