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SMILES: NC(=O)[C@@H](CCC(F)(F)F)N(CCCC#N)S(=O)(=O)c1ccc(Cl)cc1

InChI Key: InChIKey=HTXJBXCTEVMBLA-CYBMUJFWSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50485448   
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))		BDBM50485448
PNG
(CHEMBL2059817)
Show SMILES NC(=O)[C@@H](CCC(F)(F)F)N(CCCC#N)S(=O)(=O)c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C15H17ClF3N3O3S/c16-11-3-5-12(6-4-11)26(24,25)22(10-2-1-9-20)13(14(21)23)7-8-15(17,18)19/h3-6,13H,1-2,7-8,10H2,(H2,21,23)/t13-/m1/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 87n/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