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BDBM200304 US9226927, 11

SMILES: Fc1ccc(F)c2c1OCC1[C@H](CCS(=O)(=O)Cc3ncon3)OCC[C@@]21S(=O)(=O)c1ccc(Cl)cc1

InChI Key: InChIKey=NTEOUQVCSIWQFE-RUMUXARQSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 200304   
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
Beta amyloid A4 protein


(Homo sapiens (human))
BDBM200304
PNG
(US9226927, 11)
Show SMILES Fc1ccc(F)c2c1OCC1[C@H](CCS(=O)(=O)Cc3ncon3)OCC[C@@]21S(=O)(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C23H21ClF2N2O7S2/c24-14-1-3-15(4-2-14)37(31,32)23-8-9-33-19(7-10-36(29,30)12-20-27-13-35-28-20)16(23)11-34-22-18(26)6-5-17(25)21(22)23/h1-6,13,16,19H,7-12H2/t16?,19-,23-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 1.70n/an/an/an/an/an/a



MERCK SHARP & DOHME CORP.

US Patent


Assay Description
To measure γ-secretase activity, membranes were incubated at 37 C. for 1 h in 50 μL of buffer containing 20 mM Hepes (pH 7.0) and 2 mM EDT...


US Patent US9226927 (2016)


BindingDB Entry DOI: 10.7270/Q24J0CX1
More data for this
Ligand-Target Pair