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BDBM50302702 (S)-5-oxo-4-(6-(4-((2-oxopyrrolidin-1-yl)methyl)piperidin-1-yl)-2-phenylpyrimidine-4-carboxamido)-5-(4-(pentyloxycarbonyl)piperazin-1-yl)pentanoic acid::CHEMBL570275

SMILES: CCCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(nc(n1)-c1ccccc1)N1CCC(CN2CCCC2=O)CC1

InChI Key: InChIKey=DTAZYZLLWLLXMF-NDEPHWFRSA-N

Data: 1 KI  1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50302702   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Purinergic receptor P2Y12


(Homo sapiens (Human))
BDBM50302702
PNG
((S)-5-oxo-4-(6-(4-((2-oxopyrrolidin-1-yl)methyl)pi...)
Show SMILES CCCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(nc(n1)-c1ccccc1)N1CCC(CN2CCCC2=O)CC1
Show InChI InChI=1S/C36H49N7O7/c1-2-3-7-23-50-36(49)42-21-19-41(20-22-42)35(48)28(12-13-32(45)46)38-34(47)29-24-30(39-33(37-29)27-9-5-4-6-10-27)40-17-14-26(15-18-40)25-43-16-8-11-31(43)44/h4-6,9-10,24,26,28H,2-3,7-8,11-23,25H2,1H3,(H,38,47)(H,45,46)/t28-/m0/s1
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PC cid
PC sid
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Similars

Article
PubMed
0.990n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity at human recombinant P2Y12 receptor expressed in CHO cells by radioligand binding assay


Bioorg Med Chem Lett 19: 6148-56 (2009)

More data for this
Ligand-Target Pair
Purinergic receptor P2Y12


(Homo sapiens (Human))
BDBM50302702
PNG
((S)-5-oxo-4-(6-(4-((2-oxopyrrolidin-1-yl)methyl)pi...)
Show SMILES CCCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(nc(n1)-c1ccccc1)N1CCC(CN2CCCC2=O)CC1
Show InChI InChI=1S/C36H49N7O7/c1-2-3-7-23-50-36(49)42-21-19-41(20-22-42)35(48)28(12-13-32(45)46)38-34(47)29-24-30(39-33(37-29)27-9-5-4-6-10-27)40-17-14-26(15-18-40)25-43-16-8-11-31(43)44/h4-6,9-10,24,26,28H,2-3,7-8,11-23,25H2,1H3,(H,38,47)(H,45,46)/t28-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.60E+3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at P2Y12 receptor in human platelet rich plasma assessed as inhibition of ADP-induced platelet aggregation by light transmission ...


Bioorg Med Chem Lett 19: 6148-56 (2009)

More data for this
Ligand-Target Pair