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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 = 'BDBM50302646'   
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))
BDBM50302646
PNG
((S)-4-(6-(4-aminopiperidin-1-yl)-2-phenylpyrimidin...)
Show SMILES CCCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(nc(n1)-c1ccccc1)N1CCC(N)CC1 |r|
Show InChI InChI=1S/C31H43N7O6/c1-2-3-7-20-44-31(43)38-18-16-37(17-19-38)30(42)24(10-11-27(39)40)34-29(41)25-21-26(36-14-12-23(32)13-15-36)35-28(33-25)22-8-5-4-6-9-22/h4-6,8-9,21,23-24H,2-3,7,10-20,32H2,1H3,(H,34,41)(H,39,40)/t24-/m0/s1
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PC cid
PC sid
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Similars

Article
PubMed
0.690n/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
P2Y purinoceptor 12


(Homo sapiens (Human))
BDBM50302646
PNG
((S)-4-(6-(4-aminopiperidin-1-yl)-2-phenylpyrimidin...)
Show SMILES CCCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(nc(n1)-c1ccccc1)N1CCC(N)CC1 |r|
Show InChI InChI=1S/C31H43N7O6/c1-2-3-7-20-44-31(43)38-18-16-37(17-19-38)30(42)24(10-11-27(39)40)34-29(41)25-21-26(36-14-12-23(32)13-15-36)35-28(33-25)22-8-5-4-6-9-22/h4-6,8-9,21,23-24H,2-3,7,10-20,32H2,1H3,(H,34,41)(H,39,40)/t24-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 720n/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