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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 = 'BDBM50445023'   
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


(Rattus norvegicus)
BDBM50445023
PNG
(CHEMBL3098234)
Show SMILES CCCSc1nc(N[C@@H]2C[C@H]2c2ccc(Cl)s2)c2nnn([C@@H]3C[C@H](OCCO)[C@@H](O)[C@H]3O)c2n1 |r|
Show InChI InChI=1S/C21H27ClN6O4S2/c1-2-7-33-21-24-19(23-11-8-10(11)14-3-4-15(22)34-14)16-20(25-21)28(27-26-16)12-9-13(32-6-5-29)18(31)17(12)30/h3-4,10-13,17-18,29-31H,2,5-9H2,1H3,(H,23,24,25)/t10-,11-,12-,13+,17+,18-/m1/s1
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 160n/an/an/an/an/an/a



Shanghai Hengrui Pharmaceutical Co. Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at P2Y12 receptor in rat platelet-rich plasma assessed as inhibition of ADP-induced platelet aggregation incubated for 5 mins pri...


Bioorg Med Chem Lett 24: 141-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.11.055
BindingDB Entry DOI: 10.7270/Q24T6KVN
More data for this
Ligand-Target Pair
Purinergic receptor P2Y12


(Homo sapiens (Human))
BDBM50445023
PNG
(CHEMBL3098234)
Show SMILES CCCSc1nc(N[C@@H]2C[C@H]2c2ccc(Cl)s2)c2nnn([C@@H]3C[C@H](OCCO)[C@@H](O)[C@H]3O)c2n1 |r|
Show InChI InChI=1S/C21H27ClN6O4S2/c1-2-7-33-21-24-19(23-11-8-10(11)14-3-4-15(22)34-14)16-20(25-21)28(27-26-16)12-9-13(32-6-5-29)18(31)17(12)30/h3-4,10-13,17-18,29-31H,2,5-9H2,1H3,(H,23,24,25)/t10-,11-,12-,13+,17+,18-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 280n/an/an/an/an/an/a



Shanghai Hengrui Pharmaceutical Co. Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at P2Y12 receptor in human platelet-rich plasma assessed as inhibition of ADP-induced platelet aggregation incubated for 5 mins p...


Bioorg Med Chem Lett 24: 141-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.11.055
BindingDB Entry DOI: 10.7270/Q24T6KVN
More data for this
Ligand-Target Pair