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BDBM50480065 CHEMBL495185

SMILES: [H][C@]12CC[C@]([H])(Cc3cc(ccc3C1)-c1cn(cn1)-c1ccc(Cl)cc1)[C@@]21CN(CC(F)(F)F)S(=O)(=O)N1

InChI Key: InChIKey=LJZBSNCXOJLKNY-DCLXLUIPSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50480065   
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
Presenilin-1


(Homo sapiens (Human))
BDBM50480065
PNG
(CHEMBL495185)
Show SMILES [H][C@]12CC[C@]([H])(Cc3cc(ccc3C1)-c1cn(cn1)-c1ccc(Cl)cc1)[C@@]21CN(CC(F)(F)F)S(=O)(=O)N1 |r|
Show InChI InChI=1S/C25H24ClF3N4O2S/c26-21-5-7-22(8-6-21)32-12-23(30-15-32)17-2-1-16-10-19-3-4-20(11-18(16)9-17)24(19)13-33(14-25(27,28)29)36(34,35)31-24/h1-2,5-9,12,15,19-20,31H,3-4,10-11,13-14H2/t19-,20+,24+/m0/s1
PDB
MMDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.0800n/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of gamma secretase in human SH-SY5Y cells by HTRF assay


J Med Chem 52: 3441-4 (2009)


Article DOI: 10.1021/jm900056p
BindingDB Entry DOI: 10.7270/Q2B85BZ2
More data for this
Ligand-Target Pair