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SMILES: Clc1ccc(COC(=O)Nc2ccc3CC4CCC(Cc3c2)C4NS(=O)(=O)c2ccccc2)cc1

InChI Key: InChIKey=LNEQSINHSHRPJR-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50158018   
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
Gamma-secretase subunit APH-1A/Gamma-secretase subunit APH-1B/Gamma-secretase subunit PEN-2/Nicastrin/Presenilin-1/Presenilin-2


(Homo sapiens (Human))		BDBM50158018
PNG
((13-Benzenesulfonylamino-tricyclo[8.2.1.0*3,8*]tri...)
Show SMILES Clc1ccc(COC(=O)Nc2ccc3CC4CCC(Cc3c2)C4NS(=O)(=O)c2ccccc2)cc1 |TLB:12:13:22:16.17,21:20:22:16.17,THB:23:22:20.13.19.14:16.17|
Show InChI InChI=1S/C27H27ClN2O4S/c28-23-11-6-18(7-12-23)17-34-27(31)29-24-13-10-19-14-20-8-9-21(15-22(19)16-24)26(20)30-35(32,33)25-4-2-1-3-5-25/h1-7,10-13,16,20-21,26,30H,8-9,14-15,17H2,(H,29,31)
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Similars
Article
PubMed
n/an/a 16n/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration against Gamma-secretase in whole cell inhibition assay using SH-SY5Y cells

Bioorg Med Chem Lett 15: 373-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.062
BindingDB Entry DOI: 10.7270/Q2445KZQ
More data for this
Ligand-Target Pair