BDBM260817 US9540323, 3::US9540323, example 3

SMILES CC1(C)CN(c2c1c(ccc2O)C(F)(F)F)c1ccccc1NC(=O)NC1CCN(CC(F)(F)F)CC1

InChI Key InChIKey=YKSIIZROYXPAPI-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 = 260817   

TargetP2Y purinoceptor 1(Homo sapiens (Human))
Bristol-Myers Squibb

US Patent
LigandPNGBDBM260817(US9540323, 3 | US9540323, example 3)
Affinity DataKi:  4.90nM ΔG°:  -11.3kcal/molepH: 7.4 T: 2°CAssay Description:A SPA membrane binding assay was used to identify inhibitors of [33P] 2MeS-ADP binding to cloned human P2Y1 receptors (The P2Y1 receptor membranes we...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent