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BDBM50302634 (S)-5-oxo-4-(6-(4-(2-oxo-2-(pyrrolidin-1-yl)ethyl)piperazin-1-yl)-2-phenylpyrimidine-4-carboxamido)-5-(4-(pentyloxycarbonyl)piperazin-1-yl)pentanoic acid::CHEMBL570151

SMILES: CCCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(nc(n1)-c1ccccc1)N1CCN(CC(=O)N2CCCC2)CC1

InChI Key: InChIKey=YYMWYDNBNYHNJD-NDEPHWFRSA-N

Data: 1 KI  1 IC50

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50302634   
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))
BDBM50302634
PNG
((S)-5-oxo-4-(6-(4-(2-oxo-2-(pyrrolidin-1-yl)ethyl)...)
Show SMILES CCCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(nc(n1)-c1ccccc1)N1CCN(CC(=O)N2CCCC2)CC1 |r|
Show InChI InChI=1S/C36H50N8O7/c1-2-3-9-24-51-36(50)44-22-20-43(21-23-44)35(49)28(12-13-32(46)47)38-34(48)29-25-30(39-33(37-29)27-10-5-4-6-11-27)41-18-16-40(17-19-41)26-31(45)42-14-7-8-15-42/h4-6,10-11,25,28H,2-3,7-9,12-24,26H2,1H3,(H,38,48)(H,46,47)/t28-/m0/s1
PDB

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UniProtKB/SwissProt

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AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
2.10n/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))
BDBM50302634
PNG
((S)-5-oxo-4-(6-(4-(2-oxo-2-(pyrrolidin-1-yl)ethyl)...)
Show SMILES CCCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(nc(n1)-c1ccccc1)N1CCN(CC(=O)N2CCCC2)CC1 |r|
Show InChI InChI=1S/C36H50N8O7/c1-2-3-9-24-51-36(50)44-22-20-43(21-23-44)35(49)28(12-13-32(46)47)38-34(48)29-25-30(39-33(37-29)27-10-5-4-6-11-27)41-18-16-40(17-19-41)26-31(45)42-14-7-8-15-42/h4-6,10-11,25,28H,2-3,7-9,12-24,26H2,1H3,(H,38,48)(H,46,47)/t28-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.10E+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)


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