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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Gamma-secretase subunit APH-1A/Gamma-secretase subunit APH-1B/Gamma-secretase subunit PEN-2/Nicastrin/Presenilin-1/Presenilin-2' and Ligand = 'BDBM50125658'   
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
Gamma-secretase subunit APH-1A/Gamma-secretase subunit APH-1B/Gamma-secretase subunit PEN-2/Nicastrin/Presenilin-1/Presenilin-2


(Homo sapiens (Human))
BDBM50125658
PNG
((S)-2-[2-(3-Fluoro-phenyl)-acetylamino]-4-methyl-p...)
Show SMILES CC(C)C[C@H](NC(=O)Cc1cccc(F)c1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)C(=O)Cc1ccccc1
Show InChI InChI=1S/C31H41FN2O4/c1-21(2)16-27(33-29(36)20-24-14-9-15-25(32)17-24)31(38)34-26(18-22-10-5-3-6-11-22)30(37)28(35)19-23-12-7-4-8-13-23/h4,7-9,12-15,17,21-22,26-27,30,37H,3,5-6,10-11,16,18-20H2,1-2H3,(H,33,36)(H,34,38)/t26-,27-,30+/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
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GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 400n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of amyloid beta protein production in transfected H4 (neuroglioma) cells expressing APF constructs.


Bioorg Med Chem Lett 13: 1203-6 (2003)


BindingDB Entry DOI: 10.7270/Q279442Z
More data for this
Ligand-Target Pair