BindingDB logo
myBDB logout

null

SMILES: Clc1ccc(s1)S(=O)(=O)NC1C2CCC1Cc1cc(\C=C\CN3CCN(CC3)c3ccccc3)ccc1C2

InChI Key: InChIKey=IOWRLBKYIIYWKF-SNAWJCMRSA-N

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50157975   
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))		BDBM50157975
PNG
(5-Chloro-thiophene-2-sulfonic acid {5-[(E)-3-(4-ph...)
Show SMILES Clc1ccc(s1)S(=O)(=O)NC1C2CCC1Cc1cc(\C=C\CN3CCN(CC3)c3ccccc3)ccc1C2 |THB:9:10:16.36.15.37:12.13,17:16:10:12.13,35:36:10:12.13|
Show InChI InChI=1S/C30H34ClN3O2S2/c31-28-12-13-29(37-28)38(35,36)32-30-24-10-11-25(30)21-26-19-22(8-9-23(26)20-24)5-4-14-33-15-17-34(18-16-33)27-6-2-1-3-7-27/h1-9,12-13,19,24-25,30,32H,10-11,14-18,20-21H2/b5-4+
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 21n/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