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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Purinergic receptor P2Y12' and Ligand = 'BDBM50307712'   
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))
BDBM50307712
PNG
((4S)5-{4-[(Hexyloxy)carbonyl]piperazin-1-yl}-5-oxo...)
Show SMILES CCCCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(cc(n1)-c1ccccc1)N1CCC(CC1)N1CCCC1 |r|
Show InChI InChI=1S/C37H52N6O6/c1-2-3-4-10-25-49-37(48)43-23-21-42(22-24-43)36(47)31(13-14-34(44)45)39-35(46)33-27-30(26-32(38-33)28-11-6-5-7-12-28)41-19-15-29(16-20-41)40-17-8-9-18-40/h5-7,11-12,26-27,29,31H,2-4,8-10,13-25H2,1H3,(H,39,46)(H,44,45)/t31-/m0/s1
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PC cid
PC sid
UniChem
Article
PubMed
2.60n/an/an/an/an/an/an/an/a



Pfizer Global Research& Development

Curated by ChEMBL


Assay Description
Displacement of [33P]ADP from human recombinant P2Y12 receptor expressed in CHO cells


J Med Chem 53: 2010-37 (2010)


Article DOI: 10.1021/jm901518t
BindingDB Entry DOI: 10.7270/Q2HH6K50
More data for this
Ligand-Target Pair