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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 = 'BDBM50307720'   
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))
BDBM50307720
PNG
((4S)-4-[({4-[(4-Methoxypiperidin-1-yl)carbonyl]-6-...)
Show SMILES CCCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(cc(n1)-c1ccccc1)C(=O)N1CCC(CC1)OC |r|
Show InChI InChI=1S/C34H45N5O8/c1-3-4-8-21-47-34(45)39-19-17-38(18-20-39)33(44)27(11-12-30(40)41)36-31(42)29-23-25(22-28(35-29)24-9-6-5-7-10-24)32(43)37-15-13-26(46-2)14-16-37/h5-7,9-10,22-23,26-27H,3-4,8,11-21H2,1-2H3,(H,36,42)(H,40,41)/t27-/m0/s1
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PC cid
PC sid
UniChem
Article
PubMed
3.20n/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