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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Presenilin-1' and Ligand = 'BDBM50485439'   
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))		BDBM50485439
PNG
(CHEMBL2059012)
Show SMILES NC(=O)[C@@H](CCC(F)(F)F)N(C[C@H]1C[C@@H](C1)C#N)S(=O)(=O)c1ccc(Cl)cc1 |r,wU:12.11,wD:3.3,14.16,(30.15,-23.84,;28.82,-23.07,;27.49,-23.84,;28.82,-21.53,;30.15,-20.76,;31.48,-21.52,;32.82,-20.75,;34.15,-21.52,;32.81,-19.21,;34.14,-19.97,;27.45,-20.76,;26.12,-21.53,;24.77,-20.78,;23.24,-20.79,;23.24,-19.25,;24.78,-19.25,;22.15,-18.16,;21.06,-17.08,;27.45,-19.2,;26.68,-17.87,;25.91,-19.2,;28.78,-18.45,;28.81,-16.91,;30.16,-16.16,;31.48,-16.95,;32.82,-16.2,;31.46,-18.49,;30.11,-19.25,)|
Show InChI InChI=1S/C17H19ClF3N3O3S/c18-13-1-3-14(4-2-13)28(26,27)24(10-12-7-11(8-12)9-22)15(16(23)25)5-6-17(19,20)21/h1-4,11-12,15H,5-8,10H2,(H2,23,25)/t11-,12-,15-/m1/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 16n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of gamma secretase-mediated amyloid beta42 production in human H4 cells expressing human APP swedish mutant

J Med Chem 55: 3414-24 (2012)


Article DOI: 10.1021/jm300094u
BindingDB Entry DOI: 10.7270/Q23F4SHS
More data for this
Ligand-Target Pair