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SMILES: CN1CCN(C\C=C\c2ccc3CC4CCC(Cc3c2)C4NS(=O)(=O)c2ccc(Cl)s2)CC1

InChI Key: InChIKey=PRHSSTWRJVSBAX-NSCUHMNNSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50158008   
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))		BDBM50158008
PNG
(5-Chloro-thiophene-2-sulfonic acid {5-[(E)-3-(4-me...)
Show SMILES CN1CCN(C\C=C\c2ccc3CC4CCC(Cc3c2)C4NS(=O)(=O)c2ccc(Cl)s2)CC1 |TLB:19:18:20:15.14,10:11:20:15.14,THB:21:20:18.11.17.12:15.14|
Show InChI InChI=1S/C25H32ClN3O2S2/c1-28-11-13-29(14-12-28)10-2-3-18-4-5-19-16-20-6-7-21(17-22(19)15-18)25(20)27-33(30,31)24-9-8-23(26)32-24/h2-5,8-9,15,20-21,25,27H,6-7,10-14,16-17H2,1H3/b3-2+
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Similars
Article
PubMed
n/an/a 39n/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