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BDBM50015295 CHEMBL3263075::US9120798, 12

SMILES: CC(C)(C)CN1CCC2(CN(c3c2c(Cl)ccc3O)c2ccccc2Nc2nnc(s2)-c2cnccn2)CC1

InChI Key: InChIKey=UBEJQDOLXROTNC-UHFFFAOYSA-N

Data: 1 KI  2 IC50

Find this compound or compounds like it in BindingDB or PDB:
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50015295   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Purinergic receptor P2Y1


(Homo sapiens (Human))
BDBM50015295
PNG
(CHEMBL3263075 | US9120798, 12)
Show SMILES CC(C)(C)CN1CCC2(CN(c3c2c(Cl)ccc3O)c2ccccc2Nc2nnc(s2)-c2cnccn2)CC1
Show InChI InChI=1S/C29H32ClN7OS/c1-28(2,3)17-36-14-10-29(11-15-36)18-37(25-23(38)9-8-19(30)24(25)29)22-7-5-4-6-20(22)33-27-35-34-26(39-27)21-16-31-12-13-32-21/h4-9,12-13,16,38H,10-11,14-15,17-18H2,1-3H3,(H,33,35)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
6.5n/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))
BDBM50015295
PNG
(CHEMBL3263075 | US9120798, 12)
Show SMILES CC(C)(C)CN1CCC2(CN(c3c2c(Cl)ccc3O)c2ccccc2Nc2nnc(s2)-c2cnccn2)CC1
Show InChI InChI=1S/C29H32ClN7OS/c1-28(2,3)17-36-14-10-29(11-15-36)18-37(25-23(38)9-8-19(30)24(25)29)22-7-5-4-6-20(22)33-27-35-34-26(39-27)21-16-31-12-13-32-21/h4-9,12-13,16,38H,10-11,14-15,17-18H2,1-3H3,(H,33,35)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.5n/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))
BDBM50015295
PNG
(CHEMBL3263075 | US9120798, 12)
Show SMILES CC(C)(C)CN1CCC2(CN(c3c2c(Cl)ccc3O)c2ccccc2Nc2nnc(s2)-c2cnccn2)CC1
Show InChI InChI=1S/C29H32ClN7OS/c1-28(2,3)17-36-14-10-29(11-15-36)18-37(25-23(38)9-8-19(30)24(25)29)22-7-5-4-6-20(22)33-27-35-34-26(39-27)21-16-31-12-13-32-21/h4-9,12-13,16,38H,10-11,14-15,17-18H2,1-3H3,(H,33,35)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
US Patent
n/an/a 6.5n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
A membrane binding assay was used to identify inhibitors of [33P] 2MeS- ADP binding to cloned human P2Y1 receptors. The cDNA clone for human P2Yi was...


US Patent US9120798 (2015)


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