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 = 'BDBM50100188'   
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))
BDBM50100188
PNG
(CHEMBL3325632)
Show SMILES CCCC(=O)c1cnn(c1C)-c1ccc(NC(=O)c2cn(CC(=O)N[C@H]3CCNC3)c3ccc(C)cc23)cc1 |r|
Show InChI InChI=1/C30H34N6O3/c1-4-5-28(37)25-16-32-36(20(25)3)23-9-7-21(8-10-23)34-30(39)26-17-35(27-11-6-19(2)14-24(26)27)18-29(38)33-22-12-13-31-15-22/h6-11,14,16-17,22,31H,4-5,12-13,15,18H2,1-3H3,(H,33,38)(H,34,39)/t22-/s2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 61n/an/an/an/an/an/a



Sanofi R&D

Curated by ChEMBL


Assay Description
Displacement of [33P]2MeS-ADP from P2Y12 receptor (unknown origin) transfected in CHO cells after 30 mins by scintillation counting analysis


J Med Chem 57: 7293-316 (2014)


Article DOI: 10.1021/jm500588w
BindingDB Entry DOI: 10.7270/Q2D79D21
More data for this
Ligand-Target Pair
Purinergic receptor P2Y12


(Rattus norvegicus)
BDBM50100188
PNG
(CHEMBL3325632)
Show SMILES CCCC(=O)c1cnn(c1C)-c1ccc(NC(=O)c2cn(CC(=O)N[C@H]3CCNC3)c3ccc(C)cc23)cc1 |r|
Show InChI InChI=1/C30H34N6O3/c1-4-5-28(37)25-16-32-36(20(25)3)23-9-7-21(8-10-23)34-30(39)26-17-35(27-11-6-19(2)14-24(26)27)18-29(38)33-22-12-13-31-15-22/h6-11,14,16-17,22,31H,4-5,12-13,15,18H2,1-3H3,(H,33,38)(H,34,39)/t22-/s2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 800n/an/an/an/an/an/a



Sanofi R&D

Curated by ChEMBL


Assay Description
Antagonist activity at P2Y12 receptor in Sprague-Dawley rat platelet rich plasma assessed as inhibition of ADP-induced aggregation


J Med Chem 57: 7293-316 (2014)


Article DOI: 10.1021/jm500588w
BindingDB Entry DOI: 10.7270/Q2D79D21
More data for this
Ligand-Target Pair