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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Purinergic receptor P2Y1' and Ligand = 'BDBM50015292'   
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))
BDBM50015292
PNG
(CHEMBL3263072 | US9120798, 19)
Show SMILES CC(C)(C)CN1CCC2(CN(c3c2c(Cl)ccc3O)c2ccccc2Nc2nnc(s2)-c2ccccc2Cl)CC1
Show InChI InChI=1S/C31H33Cl2N5OS/c1-30(2,3)18-37-16-14-31(15-17-37)19-38(27-25(39)13-12-22(33)26(27)31)24-11-7-6-10-23(24)34-29-36-35-28(40-29)20-8-4-5-9-21(20)32/h4-13,39H,14-19H2,1-3H3,(H,34,36)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
28n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Displacement of [33P]2-MeS-ADP from human cloned P2Y1 receptor expressed in HEK293 cells by SPA analysis


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))
BDBM50015292
PNG
(CHEMBL3263072 | US9120798, 19)
Show SMILES CC(C)(C)CN1CCC2(CN(c3c2c(Cl)ccc3O)c2ccccc2Nc2nnc(s2)-c2ccccc2Cl)CC1
Show InChI InChI=1S/C31H33Cl2N5OS/c1-30(2,3)18-37-16-14-31(15-17-37)19-38(27-25(39)13-12-22(33)26(27)31)24-11-7-6-10-23(24)34-29-36-35-28(40-29)20-8-4-5-9-21(20)32/h4-13,39H,14-19H2,1-3H3,(H,34,36)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 9.80n/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))
BDBM50015292
PNG
(CHEMBL3263072 | US9120798, 19)
Show SMILES CC(C)(C)CN1CCC2(CN(c3c2c(Cl)ccc3O)c2ccccc2Nc2nnc(s2)-c2ccccc2Cl)CC1
Show InChI InChI=1S/C31H33Cl2N5OS/c1-30(2,3)18-37-16-14-31(15-17-37)19-38(27-25(39)13-12-22(33)26(27)31)24-11-7-6-10-23(24)34-29-36-35-28(40-29)20-8-4-5-9-21(20)32/h4-13,39H,14-19H2,1-3H3,(H,34,36)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
US Patent
n/an/a 28n/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