BDBM260816 US9540323, 2::US9540323, example 2

SMILES CC(C)(C)CN1CCC(CC1)c1ccc(NC(=O)Nc2ccccc2N2CC(C)(C)c3c2c(O)ccc3C(F)(F)F)cc1

InChI Key InChIKey=PAXQDCDDGMUGNQ-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 = 260816   

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

US Patent
LigandPNGBDBM260816(US9540323, 2 | US9540323, example 2)
Affinity DataKi:  3.40nM ΔG°:  -11.5kcal/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