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BDBM177995 US9120798, 42

SMILES: CC(C)(C)CN1CCC2(CN(c3c2c(Cl)ccc3O)c2ccccc2Nc2ccc(cn2)C(F)(F)F)CC1

InChI Key: InChIKey=LZORFYCGZQRIMW-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 177995   
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))
BDBM177995
PNG
(US9120798, 42)
Show SMILES CC(C)(C)CN1CCC2(CN(c3c2c(Cl)ccc3O)c2ccccc2Nc2ccc(cn2)C(F)(F)F)CC1
Show InChI InChI=1S/C29H32ClF3N4O/c1-27(2,3)17-36-14-12-28(13-15-36)18-37(26-23(38)10-9-20(30)25(26)28)22-7-5-4-6-21(22)35-24-11-8-19(16-34-24)29(31,32)33/h4-11,16,38H,12-15,17-18H2,1-3H3,(H,34,35)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 22n/an/an/an/a7.425



Bristol-Myers Squibb Co.

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