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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Presenilin-1' and Ligand = 'BDBM50534369'   
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))		BDBM50534369
PNG
(E-2212 | E2212)
Show SMILES COc1nc(\C=C\c2nc3[C@@H](CCCn3n2)c2ccccc2C(F)(F)F)ccc1-n1cnc(C)c1 |r|
Show InChI InChI=1S/C25H23F3N6O/c1-16-14-33(15-29-16)21-11-9-17(30-24(21)35-2)10-12-22-31-23-19(7-5-13-34(23)32-22)18-6-3-4-8-20(18)25(26,27)28/h3-4,6,8-12,14-15,19H,5,7,13H2,1-2H3/b12-10+/t19-/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 17n/an/an/an/a



FORUM Pharmaceuticals

Curated by ChEMBL


Assay Description
Modulation of human gamma-secretase assessed as inhibition of amyloid beta (1 to 42 residues) production by ELISA

J Med Chem 59: 7389-409 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01960
BindingDB Entry DOI: 10.7270/Q2B56P74
More data for this
Ligand-Target Pair