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BDBM200305 US9226927, 14

SMILES: Cc1nc(CS(=O)(=O)CC[C@@H]2OCC[C@@]3(C2COc2c(F)ccc(F)c32)S(=O)(=O)c2ccc(Cl)cc2)no1

InChI Key: InChIKey=ZYQZOZIQPXMFMN-OUSZHMKWSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 200305   
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))
BDBM200305
PNG
(US9226927, 14)
Show SMILES Cc1nc(CS(=O)(=O)CC[C@@H]2OCC[C@@]3(C2COc2c(F)ccc(F)c32)S(=O)(=O)c2ccc(Cl)cc2)no1
Show InChI InChI=1S/C24H23ClF2N2O7S2/c1-14-28-21(29-36-14)13-37(30,31)11-8-20-17-12-35-23-19(27)7-6-18(26)22(23)24(17,9-10-34-20)38(32,33)16-4-2-15(25)3-5-16/h2-7,17,20H,8-13H2,1H3/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 5.80n/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