new BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Purinergic receptor P2Y12' and Ligand = 'BDBM50302671'   
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))
BDBM50302671
PNG
((S)-4-(6-(3-morpholinopropoxy)-2-phenylpyrimidine-...)
Show SMILES CCCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(OCCCN2CCOCC2)nc(n1)-c1ccccc1 |r|
Show InChI InChI=1S/C33H46N6O8/c1-2-3-7-20-47-33(44)39-16-14-38(15-17-39)32(43)26(11-12-29(40)41)35-31(42)27-24-28(36-30(34-27)25-9-5-4-6-10-25)46-21-8-13-37-18-22-45-23-19-37/h4-6,9-10,24,26H,2-3,7-8,11-23H2,1H3,(H,35,42)(H,40,41)/t26-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
2.80n/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))
BDBM50302671
PNG
((S)-4-(6-(3-morpholinopropoxy)-2-phenylpyrimidine-...)
Show SMILES CCCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(OCCCN2CCOCC2)nc(n1)-c1ccccc1 |r|
Show InChI InChI=1S/C33H46N6O8/c1-2-3-7-20-47-33(44)39-16-14-38(15-17-39)32(43)26(11-12-29(40)41)35-31(42)27-24-28(36-30(34-27)25-9-5-4-6-10-25)46-21-8-13-37-18-22-45-23-19-37/h4-6,9-10,24,26H,2-3,7-8,11-23H2,1H3,(H,35,42)(H,40,41)/t26-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 8.70E+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