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SMILES: [H][C@]1(CCC[C@H](COC(=O)N2CCC(CC2C)N2CCCCC2)N1S(=O)(=O)c1ccc(Cl)cc1)c1cccc(F)c1

InChI Key: InChIKey=HCHVNBOTRLPDIE-ZEIVTJPGSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50476449   
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))		BDBM50476449
PNG
(CHEMBL393414)
Show SMILES [H][C@]1(CCC[C@H](COC(=O)N2CCC(CC2C)N2CCCCC2)N1S(=O)(=O)c1ccc(Cl)cc1)c1cccc(F)c1
Show InChI InChI=1S/C30H39ClFN3O4S/c1-22-19-26(33-16-3-2-4-17-33)15-18-34(22)30(36)39-21-27-9-6-10-29(23-7-5-8-25(32)20-23)35(27)40(37,38)28-13-11-24(31)12-14-28/h5,7-8,11-14,20,22,26-27,29H,2-4,6,9-10,15-19,21H2,1H3/t22?,26?,27-,29+/m1/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 13n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of gamma secretase-mediated amyloid-beta peptid aggregation

Bioorg Med Chem Lett 17: 57-62 (2007)


Article DOI: 10.1016/j.bmcl.2006.09.094
BindingDB Entry DOI: 10.7270/Q2ZP48WP
More data for this
Ligand-Target Pair