BDBM50045615 CHEMBL3314297::US9540323, 206::US9540323, example 206

SMILES CC1(C)CN(c2c1c(ccc2O)-c1cccc(F)c1)c1ccccc1NC(=O)Nc1ccc(OC(F)(F)F)cc1

InChI Key InChIKey=KVIOQXBUMMLWNP-UHFFFAOYSA-N

Data  1 KI  2 IC50

  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 3 hits for monomerid = 50045615   

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

US Patent
LigandPNGBDBM50045615(CHEMBL3314297 | US9540323, 206 | US9540323, exampl...)
Affinity DataKi:  8.5nM ΔG°:  -11.0kcal/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
In DepthDetails US Patent
TargetP2Y purinoceptor 1(Homo sapiens (Human))
Bristol-Myers Squibb

US Patent
LigandPNGBDBM50045615(CHEMBL3314297 | US9540323, 206 | US9540323, exampl...)
Affinity DataIC50:  240nMAssay Description:Antagonist activity at P2Y1 receptor in platelet-enriched human plasma assessed as 10 uM ADP-induced platelet aggregation preincubated for 1 min foll...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetP2Y purinoceptor 1(Homo sapiens (Human))
Bristol-Myers Squibb

US Patent
LigandPNGBDBM50045615(CHEMBL3314297 | US9540323, 206 | US9540323, exampl...)
Affinity DataIC50:  0.150nMAssay Description:Antagonist activity at P2Y1 receptor in washed human platelets assessed as 1 uM 2-methylthio-ADP-induced calcium flux by FLIPR assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed