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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Purinergic receptor P2Y1' and Ligand = 'BDBM50017086'   
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 P2Y1


(Homo sapiens (Human))
BDBM50017086
PNG
(CHEMBL3287052 | US9428504, 79)
Show SMILES COC(=O)c1ccc(O)c2N(CC3(CCN(CC(C)(C)C)CC3)c12)c1ccccc1NC(=O)Nc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C33H37F3N4O5/c1-31(2,3)19-39-17-15-32(16-18-39)20-40(28-26(41)14-13-23(27(28)32)29(42)44-4)25-8-6-5-7-24(25)38-30(43)37-21-9-11-22(12-10-21)45-33(34,35)36/h5-14,41H,15-20H2,1-4H3,(H2,37,38,43)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
US Patent
9 -45.9n/an/an/an/an/a7.425



Bristol-Myers Squibb Company

US Patent


Assay Description
A SPA membrane binding assay was used to identify inhibitors of [33P] 2MeS-ADP binding to cloned human P2Y1 receptors (The P2Y1 receptor membranes we...


US Patent US9428504 (2016)


BindingDB Entry DOI: 10.7270/Q24748SD
More data for this
Ligand-Target Pair
Purinergic receptor P2Y1


(Homo sapiens (Human))
BDBM50017086
PNG
(CHEMBL3287052 | US9428504, 79)
Show SMILES COC(=O)c1ccc(O)c2N(CC3(CCN(CC(C)(C)C)CC3)c12)c1ccccc1NC(=O)Nc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C33H37F3N4O5/c1-31(2,3)19-39-17-15-32(16-18-39)20-40(28-26(41)14-13-23(27(28)32)29(42)44-4)25-8-6-5-7-24(25)38-30(43)37-21-9-11-22(12-10-21)45-33(34,35)36/h5-14,41H,15-20H2,1-4H3,(H2,37,38,43)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.150n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Antagonist activity at P2Y1 receptor in human platelets by FLIPR assay in presence of 2-methylthio-ADP


Bioorg Med Chem Lett 24: 1294-8 (2014)


Article DOI: 10.1016/j.bmcl.2014.01.066
BindingDB Entry DOI: 10.7270/Q20G3MQF
More data for this
Ligand-Target Pair