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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Purinergic receptor P2Y12' and Ligand = 'BDBM50302656'   
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))
BDBM50302656
PNG
((S)-4-(6-(3-hydroxyazetidin-1-yl)-2-phenylpyrimidi...)
Show SMILES CCCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(nc(n1)-c1ccccc1)N1CC(O)C1 |r|
Show InChI InChI=1S/C29H38N6O7/c1-2-3-7-16-42-29(41)34-14-12-33(13-15-34)28(40)22(10-11-25(37)38)31-27(39)23-17-24(35-18-21(36)19-35)32-26(30-23)20-8-5-4-6-9-20/h4-6,8-9,17,21-22,36H,2-3,7,10-16,18-19H2,1H3,(H,31,39)(H,37,38)/t22-/m0/s1
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PC cid
PC sid
UniChem
Article
PubMed
2.5n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity at human recombinant P2Y12 receptor expressed in CHO cells by radioligand binding assay


Bioorg Med Chem Lett 19: 6148-56 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.017
BindingDB Entry DOI: 10.7270/Q2B27VCB
More data for this
Ligand-Target Pair
Purinergic receptor P2Y12


(Homo sapiens (Human))
BDBM50302656
PNG
((S)-4-(6-(3-hydroxyazetidin-1-yl)-2-phenylpyrimidi...)
Show SMILES CCCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(nc(n1)-c1ccccc1)N1CC(O)C1 |r|
Show InChI InChI=1S/C29H38N6O7/c1-2-3-7-16-42-29(41)34-14-12-33(13-15-34)28(40)22(10-11-25(37)38)31-27(39)23-17-24(35-18-21(36)19-35)32-26(30-23)20-8-5-4-6-9-20/h4-6,8-9,17,21-22,36H,2-3,7,10-16,18-19H2,1H3,(H,31,39)(H,37,38)/t22-/m0/s1
PDB

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UniProtKB/SwissProt

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antibodypedia
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.50E+3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at P2Y12 receptor in human platelet rich plasma assessed as inhibition of ADP-induced platelet aggregation by light transmission ...


Bioorg Med Chem Lett 19: 6148-56 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.017
BindingDB Entry DOI: 10.7270/Q2B27VCB
More data for this
Ligand-Target Pair