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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Purinergic receptor P2Y12' and Ligand = 'BDBM50302684'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Purinergic receptor P2Y12


(Homo sapiens (Human))
BDBM50302684
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)N1CCC(CC(=O)N2CCCC2)CC1 |r|
Show InChI InChI=1S/C37H51N7O7/c1-2-3-9-24-51-37(50)44-22-20-43(21-23-44)36(49)29(12-13-33(46)47)39-35(48)30-26-31(40-34(38-30)28-10-5-4-6-11-28)41-18-14-27(15-19-41)25-32(45)42-16-7-8-17-42/h4-6,10-11,26-27,29H,2-3,7-9,12-25H2,1H3,(H,39,48)(H,46,47)/t29-/m0/s1
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PC cid
PC sid
UniChem
Article
PubMed
1.60n/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))
BDBM50302684
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)N1CCC(CC(=O)N2CCCC2)CC1 |r|
Show InChI InChI=1S/C37H51N7O7/c1-2-3-9-24-51-37(50)44-22-20-43(21-23-44)36(49)29(12-13-33(46)47)39-35(48)30-26-31(40-34(38-30)28-10-5-4-6-11-28)41-18-14-27(15-19-41)25-32(45)42-16-7-8-17-42/h4-6,10-11,26-27,29H,2-3,7-9,12-25H2,1H3,(H,39,48)(H,46,47)/t29-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.50E+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