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BDBM50302706 (S)-4-(4-(4-((2-methoxyethoxy)methyl)piperidin-1-yl)-6-phenylpyrimidine-2-carboxamido)-5-oxo-5-(4-(pentyloxycarbonyl)piperazin-1-yl)pentanoic acid::CHEMBL570384

SMILES: CCCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1nc(cc(n1)-c1ccccc1)N1CCC(COCCOC)CC1

InChI Key: InChIKey=PDUXHNSKSWROOZ-NDEPHWFRSA-N

Data: 1 KI  1 IC50

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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50302706   
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))
BDBM50302706
PNG
((S)-4-(4-(4-((2-methoxyethoxy)methyl)piperidin-1-y...)
Show SMILES CCCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1nc(cc(n1)-c1ccccc1)N1CCC(COCCOC)CC1
Show InChI InChI=1S/C35H50N6O8/c1-3-4-8-21-49-35(46)41-19-17-40(18-20-41)34(45)28(11-12-31(42)43)37-33(44)32-36-29(27-9-6-5-7-10-27)24-30(38-32)39-15-13-26(14-16-39)25-48-23-22-47-2/h5-7,9-10,24,26,28H,3-4,8,11-23,25H2,1-2H3,(H,37,44)(H,42,43)/t28-/m0/s1
PDB

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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
8.10n/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)


Article DOI: 10.1016/j.bmcl.2009.09.017
BindingDB Entry DOI: 10.7270/Q2B27VCB
More data for this
Ligand-Target Pair
Purinergic receptor P2Y12


(Homo sapiens (Human))
BDBM50302706
PNG
((S)-4-(4-(4-((2-methoxyethoxy)methyl)piperidin-1-y...)
Show SMILES CCCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1nc(cc(n1)-c1ccccc1)N1CCC(COCCOC)CC1
Show InChI InChI=1S/C35H50N6O8/c1-3-4-8-21-49-35(46)41-19-17-40(18-20-41)34(45)28(11-12-31(42)43)37-33(44)32-36-29(27-9-6-5-7-10-27)24-30(38-32)39-15-13-26(14-16-39)25-48-23-22-47-2/h5-7,9-10,24,26,28H,3-4,8,11-23,25H2,1-2H3,(H,37,44)(H,42,43)/t28-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+4n/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)


Article DOI: 10.1016/j.bmcl.2009.09.017
BindingDB Entry DOI: 10.7270/Q2B27VCB
More data for this
Ligand-Target Pair