BDBM50302680 (S)-4-(6-(cyclopentylthio)-2-phenylpyrimidine-4-carboxamido)-5-oxo-5-(4-(pentyloxycarbonyl)piperazin-1-yl)pentanoic acid::CHEMBL569912

SMILES CCCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(SC2CCCC2)nc(n1)-c1ccccc1

InChI Key InChIKey=AGTQKMKCEYTVNM-DEOSSOPVSA-N

Data  1 KI  1 IC50

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 2 hits for monomerid = 50302680   

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

Curated by ChEMBL
LigandPNGBDBM50302680((S)-4-(6-(cyclopentylthio)-2-phenylpyrimidine-4-ca...)
Show SMILES CCCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(SC2CCCC2)nc(n1)-c1ccccc1
Show InChI InChI=1S/C31H41N5O6S/c1-2-3-9-20-42-31(41)36-18-16-35(17-19-36)30(40)24(14-15-27(37)38)33-29(39)25-21-26(43-23-12-7-8-13-23)34-28(32-25)22-10-5-4-6-11-22/h4-6,10-11,21,23-24H,2-3,7-9,12-20H2,1H3,(H,33,39)(H,37,38)/t24-/m0/s1
Affinity DataKi:  17nMAssay 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
LigandPNGBDBM50302680((S)-4-(6-(cyclopentylthio)-2-phenylpyrimidine-4-ca...)
Show SMILES CCCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(SC2CCCC2)nc(n1)-c1ccccc1
Show InChI InChI=1S/C31H41N5O6S/c1-2-3-9-20-42-31(41)36-18-16-35(17-19-36)30(40)24(14-15-27(37)38)33-29(39)25-21-26(43-23-12-7-8-13-23)34-28(32-25)22-10-5-4-6-11-22/h4-6,10-11,21,23-24H,2-3,7-9,12-20H2,1H3,(H,33,39)(H,37,38)/t24-/m0/s1
Affinity DataIC50: 1.00E+4nMAssay 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