BDBM50445198 CHEMBL3104634::US9428504, Comparator 2

SMILES CC(C)CN1CCC2(CN(c3ccccc23)c2ccccc2NC(=O)Nc2ccc(OC(F)(F)F)cc2)CC1

InChI Key InChIKey=QPIGOGMYJFRVEW-UHFFFAOYSA-N

Data  2 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 4 hits for monomerid = 50445198   

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

US Patent
LigandPNGBDBM50445198(CHEMBL3104634 | US9428504, Comparator 2)
Affinity DataKi:  20.2nM ΔG°:  -10.5kcal/moleT: 2°CAssay Description:Binding reactions were performed in WGA FLASHPLATEs (PerkinElmer Life Sciences, Cat # SMP105A) in a volume of 200 uL containing 45 fmol of P2Y1 recep...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetP2Y purinoceptor 1(Homo sapiens (Human))
Bristol-Myers Squibb

US Patent
LigandPNGBDBM50445198(CHEMBL3104634 | US9428504, Comparator 2)
Affinity DataKi:  21nMAssay Description:Displacement of [33P]-2MeS-ADP from human P2Y1 receptor expressed in HEK293 cells after 1 hr by scintillation counting analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetP2Y purinoceptor 1(Homo sapiens (Human))
Bristol-Myers Squibb

US Patent
LigandPNGBDBM50445198(CHEMBL3104634 | US9428504, Comparator 2)
Affinity DataIC50:  8.80E+3nMAssay 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
LigandPNGBDBM50445198(CHEMBL3104634 | US9428504, Comparator 2)
Affinity DataIC50:  2.20E+3nMAssay Description:Antagonist activity at P2Y1 receptor in platelet-enriched human plasma assessed as 2.5 uM ADP-induced platelet aggregation preincubated for 1 min fol...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed