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Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Purinergic receptor P2Y12' and Ligand = 'BDBM50345265'   
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))
BDBM50345265
PNG
(CHEMBL1784220 | Ethyl 5-cyano-6-(4-{[(4-fluorobenz...)
Show SMILES CCOC(=O)c1cc(C#N)c(nc1C(F)(F)F)N1CCN(CC1)C(=O)NCc1ccc(F)cc1
Show InChI InChI=1S/C22H21F4N5O3/c1-2-34-20(32)17-11-15(12-27)19(29-18(17)22(24,25)26)30-7-9-31(10-8-30)21(33)28-13-14-3-5-16(23)6-4-14/h3-6,11H,2,7-10,13H2,1H3,(H,28,33)
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n/an/a 110n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at P2Y12 receptor (unknown origin) assessed as inhibition of GTPgammaS binding after 1 hr by scintillation counting analysis


Eur J Med Chem 65: 360-75 (2013)


Article DOI: 10.1016/j.ejmech.2013.04.007
BindingDB Entry DOI: 10.7270/Q2PK0HJ2
More data for this
Ligand-Target Pair
Purinergic receptor P2Y12


(Homo sapiens (Human))
BDBM50345265
PNG
(CHEMBL1784220 | Ethyl 5-cyano-6-(4-{[(4-fluorobenz...)
Show SMILES CCOC(=O)c1cc(C#N)c(nc1C(F)(F)F)N1CCN(CC1)C(=O)NCc1ccc(F)cc1
Show InChI InChI=1S/C22H21F4N5O3/c1-2-34-20(32)17-11-15(12-27)19(29-18(17)22(24,25)26)30-7-9-31(10-8-30)21(33)28-13-14-3-5-16(23)6-4-14/h3-6,11H,2,7-10,13H2,1H3,(H,28,33)
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n/an/a 110n/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
Purinergic receptor P2Y12


(Homo sapiens (Human))
BDBM50345265
PNG
(CHEMBL1784220 | Ethyl 5-cyano-6-(4-{[(4-fluorobenz...)
Show SMILES CCOC(=O)c1cc(C#N)c(nc1C(F)(F)F)N1CCN(CC1)C(=O)NCc1ccc(F)cc1
Show InChI InChI=1S/C22H21F4N5O3/c1-2-34-20(32)17-11-15(12-27)19(29-18(17)22(24,25)26)30-7-9-31(10-8-30)21(33)28-13-14-3-5-16(23)6-4-14/h3-6,11H,2,7-10,13H2,1H3,(H,28,33)
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n/an/a 470n/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
Purinergic receptor P2Y12


(Homo sapiens (Human))
BDBM50345265
PNG
(CHEMBL1784220 | Ethyl 5-cyano-6-(4-{[(4-fluorobenz...)
Show SMILES CCOC(=O)c1cc(C#N)c(nc1C(F)(F)F)N1CCN(CC1)C(=O)NCc1ccc(F)cc1
Show InChI InChI=1S/C22H21F4N5O3/c1-2-34-20(32)17-11-15(12-27)19(29-18(17)22(24,25)26)30-7-9-31(10-8-30)21(33)28-13-14-3-5-16(23)6-4-14/h3-6,11H,2,7-10,13H2,1H3,(H,28,33)
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n/an/a 470n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [125I]-AZ11931285 from P2Y12 receptor (unknown origin) after 1 hr by scintillation counting analysis


Eur J Med Chem 65: 360-75 (2013)


Article DOI: 10.1016/j.ejmech.2013.04.007
BindingDB Entry DOI: 10.7270/Q2PK0HJ2
More data for this
Ligand-Target Pair