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SMILES: COc1cc(ccc1-n1cnc(C)c1)-c1nnc2N(Cc3ccc(F)cc3)CCCn12

InChI Key: InChIKey=LXKILWRYAZZTJW-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50483253   
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))		BDBM50483253
PNG
(CHEMBL1641621)
Show SMILES COc1cc(ccc1-n1cnc(C)c1)-c1nnc2N(Cc3ccc(F)cc3)CCCn12
Show InChI InChI=1S/C23H23FN6O/c1-16-13-29(15-25-16)20-9-6-18(12-21(20)31-2)22-26-27-23-28(10-3-11-30(22)23)14-17-4-7-19(24)8-5-17/h4-9,12-13,15H,3,10-11,14H2,1-2H3
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 649n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of gamma secretase-mediated amyloid beta42 production in HEK293 cells by sandwich immunoassay

Bioorg Med Chem Lett 21: 664-9 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.012
BindingDB Entry DOI: 10.7270/Q2930X12
More data for this
Ligand-Target Pair