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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 = 'BDBM50307663'   
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))
BDBM50307663
PNG
((4S)5-[4-(Butoxycarbonyl)piperazin-1-yl]-4-({[4-({...)
Show SMILES CCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(OC(=O)N2CCC(C2)OC)cc(n1)-c1ccccc1 |r|
Show InChI InChI=1S/C32H41N5O9/c1-3-4-18-45-31(42)36-16-14-35(15-17-36)30(41)25(10-11-28(38)39)34-29(40)27-20-24(19-26(33-27)22-8-6-5-7-9-22)46-32(43)37-13-12-23(21-37)44-2/h5-9,19-20,23,25H,3-4,10-18,21H2,1-2H3,(H,34,40)(H,38,39)/t23?,25-/m0/s1
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PC cid
PC sid
UniChem
Article
PubMed
1.5n/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