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SMILES: O=C(Nc1ccc2CC3CCC(Cc2c1)C3NS(=O)(=O)c1ccccc1)c1ccccn1

InChI Key: InChIKey=ZPUMGYOKBMEWHV-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50157972   
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))		BDBM50157972
PNG
(CHEMBL183585 | Pyridine-2-carboxylic acid (13-benz...)
Show SMILES O=C(Nc1ccc2CC3CCC(Cc2c1)C3NS(=O)(=O)c1ccccc1)c1ccccn1 |TLB:14:13:15:9.10,5:6:15:9.10,THB:16:15:13.6.12.7:9.10|
Show InChI InChI=1S/C25H25N3O3S/c29-25(23-8-4-5-13-26-23)27-21-12-11-17-14-18-9-10-19(15-20(17)16-21)24(18)28-32(30,31)22-6-2-1-3-7-22/h1-8,11-13,16,18-19,24,28H,9-10,14-15H2,(H,27,29)
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Similars
Article
PubMed
n/an/a 75n/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