BDBM508625 (R or S)-8-[2-(3,3-difluoro-2- methylpiperidin-1-yl)ethyl]-2,2- difluoro[1,3]dioxolo[4,5-h][1,2,4] triazolo[1,5-c]quinazolin-5-amine (faster eluting c)::US11046714, Example 68

SMILES C[C@H]1N(CCc2nc3c4ccc5OC(F)(F)Oc5c4nc(N)n3n2)CCCC1(F)F

InChI Key InChIKey=KGJBPVITPLCLSX-UHFFFAOYSA-N

Data  1 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 1 hit for monomerid = 508625   

TargetAdenosine receptor A2a(Human)
Merck Sharp & Dohme

US Patent
LigandPNGBDBM508625(US11046714, Example 68 | (R or S)-8-[2-(3,3-difluo...)
Affinity DataKi:  1.20nMAssay Description:The following table shows representative data for the compounds of the Examples as A2a receptor antagonists as determined by a competition binding as...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/28/2021
Entry Details
Go to US Patent