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BDBM200308 US9226927, 25c

SMILES: Fc1ccc(F)c2c1OCC1[C@H](CCS(=O)(=O)c3cnccn3)OCC[C@@]21S(=O)(=O)c1ccc(Cl)cc1

InChI Key: InChIKey=ODZHEUCFQUHSEB-OUSZHMKWSA-N

Data: 1 IC50

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   Substructure
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 200308   
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))
BDBM200308
PNG
(US9226927, 25c)
Show SMILES Fc1ccc(F)c2c1OCC1[C@H](CCS(=O)(=O)c3cnccn3)OCC[C@@]21S(=O)(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C24H21ClF2N2O6S2/c25-15-1-3-16(4-2-15)37(32,33)24-8-11-34-20(7-12-36(30,31)21-13-28-9-10-29-21)17(24)14-35-23-19(27)6-5-18(26)22(23)24/h1-6,9-10,13,17,20H,7-8,11-12,14H2/t17?,20-,24-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 5.5n/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