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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Presenilin-1' and Ligand = 'BDBM50480060'   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Presenilin-1


(Homo sapiens (Human))		BDBM50480060
PNG
(CHEMBL466256)
Show SMILES [H][C@]12CC[C@]([H])(Cc3cc(ccc3C1)-c1cn(cn1)-c1ccc(Cl)c(Cl)c1)[C@@]21CN(CC(F)(F)F)S(=O)(=O)N1 |r|
Show InChI InChI=1S/C25H23Cl2F3N4O2S/c26-21-6-5-20(10-22(21)27)33-11-23(31-14-33)16-2-1-15-8-18-3-4-19(9-17(15)7-16)24(18)12-34(13-25(28,29)30)37(35,36)32-24/h1-2,5-7,10-11,14,18-19,32H,3-4,8-9,12-13H2/t18-,19+,24+/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.420n/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of gamma secretase in human SH-SY5Y cells by HTRF assay

J Med Chem 52: 3441-4 (2009)


Article DOI: 10.1021/jm900056p
BindingDB Entry DOI: 10.7270/Q2B85BZ2
More data for this
Ligand-Target Pair