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SMILES: NC(=O)[C@@H](CCC(F)(F)F)N(C[C@H]1C[C@H](C1)c1ncon1)S(=O)(=O)c1ccc(Cl)cc1

InChI Key: InChIKey=MGFUFELJNJZPQJ-TYNCELHUSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50485440   
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))		BDBM50485440
PNG
(CHEMBL2059020)
Show SMILES NC(=O)[C@@H](CCC(F)(F)F)N(C[C@H]1C[C@H](C1)c1ncon1)S(=O)(=O)c1ccc(Cl)cc1 |r,wU:12.11,14.16,wD:3.3,(30.85,-51.97,;29.51,-51.2,;28.18,-51.97,;29.51,-49.66,;30.84,-48.89,;32.18,-49.66,;33.51,-48.89,;34.84,-49.65,;33.51,-47.35,;34.84,-48.11,;28.14,-48.89,;26.81,-49.67,;25.47,-48.91,;23.93,-48.92,;23.93,-47.38,;25.47,-47.38,;22.84,-46.29,;21.31,-46.53,;20.61,-45.16,;21.7,-44.07,;23.07,-44.77,;28.14,-47.34,;27.37,-46,;26.6,-47.33,;29.47,-46.58,;29.5,-45.04,;30.85,-44.29,;32.17,-45.08,;33.51,-44.33,;32.15,-46.62,;30.8,-47.38,)|
Show InChI InChI=1S/C18H20ClF3N4O4S/c19-13-1-3-14(4-2-13)31(28,29)26(15(16(23)27)5-6-18(20,21)22)9-11-7-12(8-11)17-24-10-30-25-17/h1-4,10-12,15H,5-9H2,(H2,23,27)/t11-,12+,15-/m1/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 12n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of gamma secretase-mediated amyloid beta42 production in human H4 cells expressing human APP swedish mutant

J Med Chem 55: 3414-24 (2012)


Article DOI: 10.1021/jm300094u
BindingDB Entry DOI: 10.7270/Q23F4SHS
More data for this
Ligand-Target Pair