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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 = 'BDBM50302694'   
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))
BDBM50302694
PNG
((S)-4-(6-(4-(diethylcarbamoyl)piperidin-1-yl)-2-ph...)
Show SMILES CCCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(nc(n1)-c1ccccc1)N1CCC(CC1)C(=O)N(CC)CC |r|
Show InChI InChI=1S/C36H51N7O7/c1-4-7-11-24-50-36(49)43-22-20-42(21-23-43)35(48)28(14-15-31(44)45)38-33(46)29-25-30(39-32(37-29)26-12-9-8-10-13-26)41-18-16-27(17-19-41)34(47)40(5-2)6-3/h8-10,12-13,25,27-28H,4-7,11,14-24H2,1-3H3,(H,38,46)(H,44,45)/t28-/m0/s1
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.5n/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))
BDBM50302694
PNG
((S)-4-(6-(4-(diethylcarbamoyl)piperidin-1-yl)-2-ph...)
Show SMILES CCCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(nc(n1)-c1ccccc1)N1CCC(CC1)C(=O)N(CC)CC |r|
Show InChI InChI=1S/C36H51N7O7/c1-4-7-11-24-50-36(49)43-22-20-42(21-23-43)35(48)28(14-15-31(44)45)38-33(46)29-25-30(39-32(37-29)26-12-9-8-10-13-26)41-18-16-27(17-19-41)34(47)40(5-2)6-3/h8-10,12-13,25,27-28H,4-7,11,14-24H2,1-3H3,(H,38,46)(H,44,45)/t28-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 400n/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