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Compile Data Set for Download or QSAR

Found 2 hits of ic50 for monomerid = 50015293   
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))
BDBM50015293
PNG
(CHEMBL3263073 | US9120798, 20)
Show SMILES CC(C)(C)CN1CCC2(CN(c3c2c(Cl)ccc3O)c2ccccc2Nc2nnc(s2)-c2cccc(Cl)c2)CC1
Show InChI InChI=1S/C31H33Cl2N5OS/c1-30(2,3)18-37-15-13-31(14-16-37)19-38(27-25(39)12-11-22(33)26(27)31)24-10-5-4-9-23(24)34-29-36-35-28(40-29)20-7-6-8-21(32)17-20/h4-12,17,39H,13-16,18-19H2,1-3H3,(H,34,36)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.60n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of P2Y1 receptor in human washed platelets assessed as decrease in 2-methylthio-ADP-induced calcium signal transduction pathway activation...


Bioorg Med Chem Lett 24: 2481-5 (2014)


Article DOI: 10.1016/j.bmcl.2014.04.011
BindingDB Entry DOI: 10.7270/Q2R78GS0
More data for this
Ligand-Target Pair
Purinergic receptor P2Y1


(Homo sapiens (Human))
BDBM50015293
PNG
(CHEMBL3263073 | US9120798, 20)
Show SMILES CC(C)(C)CN1CCC2(CN(c3c2c(Cl)ccc3O)c2ccccc2Nc2nnc(s2)-c2cccc(Cl)c2)CC1
Show InChI InChI=1S/C31H33Cl2N5OS/c1-30(2,3)18-37-15-13-31(14-16-37)19-38(27-25(39)12-11-22(33)26(27)31)24-10-5-4-9-23(24)34-29-36-35-28(40-29)20-7-6-8-21(32)17-20/h4-12,17,39H,13-16,18-19H2,1-3H3,(H,34,36)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
US Patent
n/an/a 16n/an/an/an/a7.425



Bristol-Myers Squibb Company

US Patent


Assay Description
SPA membrane binding assay was used to identify inhibitors of [33P] 2MeS-ADP binding to cloned human P2Yi receptors (The P2Yi receptor membranes were...


US Patent US9120798 (2015)


BindingDB Entry DOI: 10.7270/Q2S75F47
More data for this
Ligand-Target Pair