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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 = 'BDBM50302711'   
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))
BDBM50302711
PNG
((S)-4-(6-(4-(2-hydroxyethoxy)piperidin-1-yl)-2-phe...)
Show SMILES CCCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(nc(n1)-c1ccccc1)N1CCC(CC1)OCCO |r|
Show InChI InChI=1S/C33H46N6O8/c1-2-3-7-21-47-33(45)39-18-16-38(17-19-39)32(44)26(10-11-29(41)42)35-31(43)27-23-28(36-30(34-27)24-8-5-4-6-9-24)37-14-12-25(13-15-37)46-22-20-40/h4-6,8-9,23,25-26,40H,2-3,7,10-22H2,1H3,(H,35,43)(H,41,42)/t26-/m0/s1
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PC cid
PC sid
UniChem
Article
PubMed
0.710n/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))
BDBM50302711
PNG
((S)-4-(6-(4-(2-hydroxyethoxy)piperidin-1-yl)-2-phe...)
Show SMILES CCCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(nc(n1)-c1ccccc1)N1CCC(CC1)OCCO |r|
Show InChI InChI=1S/C33H46N6O8/c1-2-3-7-21-47-33(45)39-18-16-38(17-19-39)32(44)26(10-11-29(41)42)35-31(43)27-23-28(36-30(34-27)24-8-5-4-6-9-24)37-14-12-25(13-15-37)46-22-20-40/h4-6,8-9,23,25-26,40H,2-3,7,10-22H2,1H3,(H,35,43)(H,41,42)/t26-/m0/s1
PDB

Reactome pathway
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UniProtKB/SwissProt

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antibodypedia
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.30E+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