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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 = 'BDBM50055844'   
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))
BDBM50055844
PNG
(CHEMBL3325786)
Show SMILES [H][C@]12CN(C(=O)Cn3cc(C(=O)Nc4ccc(cc4)-n4ncc(C(=O)CCC)c4C)c4cc(C)ccc34)[C@]([H])(CN1)C2 |r|
Show InChI InChI=1/C31H34N6O3/c1-4-5-29(38)26-15-33-37(20(26)3)23-9-7-21(8-10-23)34-31(40)27-17-35(28-11-6-19(2)12-25(27)28)18-30(39)36-16-22-13-24(36)14-32-22/h6-12,15,17,22,24,32H,4-5,13-14,16,18H2,1-3H3,(H,34,40)/t22-,24-/s2
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PC cid
PC sid
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Article
PubMed
n/an/a 86n/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)
BDBM50055844
PNG
(CHEMBL3325786)
Show SMILES [H][C@]12CN(C(=O)Cn3cc(C(=O)Nc4ccc(cc4)-n4ncc(C(=O)CCC)c4C)c4cc(C)ccc34)[C@]([H])(CN1)C2 |r|
Show InChI InChI=1/C31H34N6O3/c1-4-5-29(38)26-15-33-37(20(26)3)23-9-7-21(8-10-23)34-31(40)27-17-35(28-11-6-19(2)12-25(27)28)18-30(39)36-16-22-13-24(36)14-32-22/h6-12,15,17,22,24,32H,4-5,13-14,16,18H2,1-3H3,(H,34,40)/t22-,24-/s2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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