BDBM508651 8-[(2R or 2S)-2-(5,7-dihydro-6H- pyrrolo[3,4-b]pyridin-6-yl)propyl]- 2,2-difluoro[1,3]dioxolo[4,5- h][1,2,4]triazolo[1,5-c]quinazolin- 5-amine (faster eluting a)::US11046714, Example 91::US11046714, Example 92

SMILES CC(Cc1nc2c3ccc4OC(F)(F)Oc4c3nc(N)n2n1)N1Cc2cccnc2C1

InChI Key InChIKey=SQQVNSFSSRMHRV-UHFFFAOYSA-N

Data  2 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 2 hits for monomerid = 508651   

TargetAdenosine receptor A2a(Homo sapiens (Human))
Merck Sharp & Dohme

US Patent
LigandPNGBDBM508651(8-[(2R or 2S)-2-(5,7-dihydro-6H- pyrrolo[3,4-b]pyr...)
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
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetAdenosine receptor A2a(Homo sapiens (Human))
Merck Sharp & Dohme

US Patent
LigandPNGBDBM508651(8-[(2R or 2S)-2-(5,7-dihydro-6H- pyrrolo[3,4-b]pyr...)
Affinity DataKi:  4nMAssay 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
Ligand InfoPC cidPC sid
In DepthDetails US Patent