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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'P2Y purinoceptor 12' and Ligand = 'BDBM50345264'   
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
P2Y purinoceptor 12


(Homo sapiens (Human))
BDBM50345264
PNG
(CHEMBL1784219 | Ethyl 5-cyano-6-(4-{[(3-methylbenz...)
Show SMILES CCOC(=O)c1cc(C#N)c(nc1C(F)(F)F)N1CCN(CC1)C(=O)NCc1cccc(C)c1
Show InChI InChI=1S/C23H24F3N5O3/c1-3-34-21(32)18-12-17(13-27)20(29-19(18)23(24,25)26)30-7-9-31(10-8-30)22(33)28-14-16-6-4-5-15(2)11-16/h4-6,11-12H,3,7-10,14H2,1-2H3,(H,28,33)
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n/an/a 450n/an/an/an/an/an/a



AstraZeneca R&D

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant P2Y12 receptor expressed in platelet cell membrane by [35S]GTPgammaS binding assay


Bioorg Med Chem Lett 21: 2877-81 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.088
BindingDB Entry DOI: 10.7270/Q2TX3FQ9
More data for this
Ligand-Target Pair
P2Y purinoceptor 12


(Homo sapiens (Human))
BDBM50345264
PNG
(CHEMBL1784219 | Ethyl 5-cyano-6-(4-{[(3-methylbenz...)
Show SMILES CCOC(=O)c1cc(C#N)c(nc1C(F)(F)F)N1CCN(CC1)C(=O)NCc1cccc(C)c1
Show InChI InChI=1S/C23H24F3N5O3/c1-3-34-21(32)18-12-17(13-27)20(29-19(18)23(24,25)26)30-7-9-31(10-8-30)22(33)28-14-16-6-4-5-15(2)11-16/h4-6,11-12H,3,7-10,14H2,1-2H3,(H,28,33)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 750n/an/an/an/an/an/a



AstraZeneca R&D

Curated by ChEMBL


Assay Description
Displacement of [125I]-AZ11931285 from human recombinant P2Y12 receptor expressed in platelet cell membrane after 1 hr by scintillation counting


Bioorg Med Chem Lett 21: 2877-81 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.088
BindingDB Entry DOI: 10.7270/Q2TX3FQ9
More data for this
Ligand-Target Pair