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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 = 'BDBM50302636'   
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))
BDBM50302636
PNG
((S)-4-(6-(4-(2-(dimethylamino)-2-oxoethyl)piperazi...)
Show SMILES CCCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(nc(n1)-c1ccccc1)N1CCN(CC(=O)N(C)C)CC1 |r|
Show InChI InChI=1S/C34H48N8O7/c1-4-5-9-22-49-34(48)42-20-18-41(19-21-42)33(47)26(12-13-30(44)45)36-32(46)27-23-28(37-31(35-27)25-10-7-6-8-11-25)40-16-14-39(15-17-40)24-29(43)38(2)3/h6-8,10-11,23,26H,4-5,9,12-22,24H2,1-3H3,(H,36,46)(H,44,45)/t26-/m0/s1
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
2.60n/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))
BDBM50302636
PNG
((S)-4-(6-(4-(2-(dimethylamino)-2-oxoethyl)piperazi...)
Show SMILES CCCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(nc(n1)-c1ccccc1)N1CCN(CC(=O)N(C)C)CC1 |r|
Show InChI InChI=1S/C34H48N8O7/c1-4-5-9-22-49-34(48)42-20-18-41(19-21-42)33(47)26(12-13-30(44)45)36-32(46)27-23-28(37-31(35-27)25-10-7-6-8-11-25)40-16-14-39(15-17-40)24-29(43)38(2)3/h6-8,10-11,23,26H,4-5,9,12-22,24H2,1-3H3,(H,36,46)(H,44,45)/t26-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 530n/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