BDBM50302647 (S)-4-(4-(4-methylpiperazin-1-yl)-6-phenylpyrimidine-2-carboxamido)-5-oxo-5-(4-(pentyloxycarbonyl)piperazin-1-yl)pentanoic acid::CHEMBL567840

SMILES CCCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1nc(cc(n1)-c1ccccc1)N1CCN(C)CC1

InChI Key InChIKey=AXDLCTBYPALFAX-DEOSSOPVSA-N

Data  1 KI  1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50302647   

TargetP2Y purinoceptor 12(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50302647((S)-4-(4-(4-methylpiperazin-1-yl)-6-phenylpyrimidi...)
Show SMILES CCCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1nc(cc(n1)-c1ccccc1)N1CCN(C)CC1
Show InChI InChI=1S/C31H43N7O6/c1-3-4-8-21-44-31(43)38-19-17-37(18-20-38)30(42)24(11-12-27(39)40)33-29(41)28-32-25(23-9-6-5-7-10-23)22-26(34-28)36-15-13-35(2)14-16-36/h5-7,9-10,22,24H,3-4,8,11-21H2,1-2H3,(H,33,41)(H,39,40)/t24-/m0/s1
Affinity DataKi:  11nMAssay Description:Binding affinity at human recombinant P2Y12 receptor expressed in CHO cells by radioligand binding assayMore data for this Ligand-Target Pair
TargetP2Y purinoceptor 12(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50302647((S)-4-(4-(4-methylpiperazin-1-yl)-6-phenylpyrimidi...)
Show SMILES CCCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1nc(cc(n1)-c1ccccc1)N1CCN(C)CC1
Show InChI InChI=1S/C31H43N7O6/c1-3-4-8-21-44-31(43)38-19-17-37(18-20-38)30(42)24(11-12-27(39)40)33-29(41)28-32-25(23-9-6-5-7-10-23)22-26(34-28)36-15-13-35(2)14-16-36/h5-7,9-10,22,24H,3-4,8,11-21H2,1-2H3,(H,33,41)(H,39,40)/t24-/m0/s1
Affinity DataIC50: 8.10E+3nMAssay Description:Antagonist activity at P2Y12 receptor in human platelet rich plasma assessed as inhibition of ADP-induced platelet aggregation by light transmission ...More data for this Ligand-Target Pair