BDBM50055841 CHEMBL3325783

SMILES CCCC(=O)c1cnn(c1C)-c1ccc(NC(=O)c2cn(CC(=O)N3CCN(CC(F)F)CC3)c3ccc(C)cc23)cc1

InChI Key InChIKey=BNKGKXJXUYLRED-UHFFFAOYSA-N

Data  2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50055841   

TargetP2Y purinoceptor 12(Homo sapiens (Human))
Sanofi R & D

Curated by ChEMBL
LigandPNGBDBM50055841(CHEMBL3325783)
Show SMILES CCCC(=O)c1cnn(c1C)-c1ccc(NC(=O)c2cn(CC(=O)N3CCN(CC(F)F)CC3)c3ccc(C)cc23)cc1
Show InChI InChI=1S/C32H36F2N6O3/c1-4-5-29(41)26-17-35-40(22(26)3)24-9-7-23(8-10-24)36-32(43)27-18-39(28-11-6-21(2)16-25(27)28)20-31(42)38-14-12-37(13-15-38)19-30(33)34/h6-11,16-18,30H,4-5,12-15,19-20H2,1-3H3,(H,36,43)
Affinity DataIC50: 19nMAssay Description:Displacement of [33P]2MeS-ADP from P2Y12 receptor (unknown origin) transfected in CHO cells after 30 mins by scintillation counting analysisMore data for this Ligand-Target Pair
TargetP2Y purinoceptor 12(Rattus norvegicus)
Sanofi R & D

Curated by ChEMBL
LigandPNGBDBM50055841(CHEMBL3325783)
Show SMILES CCCC(=O)c1cnn(c1C)-c1ccc(NC(=O)c2cn(CC(=O)N3CCN(CC(F)F)CC3)c3ccc(C)cc23)cc1
Show InChI InChI=1S/C32H36F2N6O3/c1-4-5-29(41)26-17-35-40(22(26)3)24-9-7-23(8-10-24)36-32(43)27-18-39(28-11-6-21(2)16-25(27)28)20-31(42)38-14-12-37(13-15-38)19-30(33)34/h6-11,16-18,30H,4-5,12-15,19-20H2,1-3H3,(H,36,43)
Affinity DataIC50: 500nMAssay Description:Antagonist activity at P2Y12 receptor in Sprague-Dawley rat platelet rich plasma assessed as inhibition of ADP-induced aggregationMore data for this Ligand-Target Pair