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SMILES: COc1ccc(CN([C@H](CC(C)C)C(N)=O)S(=O)(=O)c2ccc(Cl)cc2)cc1

InChI Key: InChIKey=LGISUBWRYJNHFI-LJQANCHMSA-N

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50485806   
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))		BDBM50485806
PNG
(CHEMBL2164125)
Show SMILES COc1ccc(CN([C@H](CC(C)C)C(N)=O)S(=O)(=O)c2ccc(Cl)cc2)cc1 |r|
Show InChI InChI=1S/C20H25ClN2O4S/c1-14(2)12-19(20(22)24)23(13-15-4-8-17(27-3)9-5-15)28(25,26)18-10-6-16(21)7-11-18/h4-11,14,19H,12-13H2,1-3H3,(H2,22,24)/t19-/m1/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.190n/an/an/an/an/an/a



Bristol-Myers Squibb R&D

Curated by ChEMBL


Assay Description
Inhibition of human gamma-secretase expressed in IMR32 cell membranes using MBPC-125 Swedish as substrate assessed as inhibition of amyloid beta40 pr...

Bioorg Med Chem Lett 22: 6828-31 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.057
BindingDB Entry DOI: 10.7270/Q2RJ4NBT
More data for this
Ligand-Target Pair