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

Found 3 hits Enz. Inhib. hit(s) with Target = 'Purinergic receptor P2Y12' and Ligand = 'BDBM50100272'   
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))
BDBM50100272
PNG
(CHEMBL3325630)
Show SMILES Cl.CCCC(=O)c1cnn(c1C)-c1ccc(NC(=O)c2cn(CC(=O)N3CCN(C)CC3)c3cc(C)c(C)cc23)cc1
Show InChI InChI=1S/C32H38N6O3.ClH/c1-6-7-30(39)27-18-33-38(23(27)4)25-10-8-24(9-11-25)34-32(41)28-19-37(29-17-22(3)21(2)16-26(28)29)20-31(40)36-14-12-35(5)13-15-36;/h8-11,16-19H,6-7,12-15,20H2,1-5H3,(H,34,41);1H
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 39n/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)
BDBM50100272
PNG
(CHEMBL3325630)
Show SMILES Cl.CCCC(=O)c1cnn(c1C)-c1ccc(NC(=O)c2cn(CC(=O)N3CCN(C)CC3)c3cc(C)c(C)cc23)cc1
Show InChI InChI=1S/C32H38N6O3.ClH/c1-6-7-30(39)27-18-33-38(23(27)4)25-10-8-24(9-11-25)34-32(41)28-19-37(29-17-22(3)21(2)16-26(28)29)20-31(40)36-14-12-35(5)13-15-36;/h8-11,16-19H,6-7,12-15,20H2,1-5H3,(H,34,41);1H
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 300n/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
Purinergic receptor P2Y12


(Homo sapiens (Human))
BDBM50100272
PNG
(CHEMBL3325630)
Show SMILES Cl.CCCC(=O)c1cnn(c1C)-c1ccc(NC(=O)c2cn(CC(=O)N3CCN(C)CC3)c3cc(C)c(C)cc23)cc1
Show InChI InChI=1S/C32H38N6O3.ClH/c1-6-7-30(39)27-18-33-38(23(27)4)25-10-8-24(9-11-25)34-32(41)28-19-37(29-17-22(3)21(2)16-26(28)29)20-31(40)36-14-12-35(5)13-15-36;/h8-11,16-19H,6-7,12-15,20H2,1-5H3,(H,34,41);1H
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 500n/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