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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Beta-secretase 1' and Ligand = 'BDBM50316859'   
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
Beta-secretase 1


(Homo sapiens (Human))		BDBM50316859
PNG
(CHEMBL1098682 | [(2R,4S,5S)-5-[N-(4-trifluoromethy...)
Show SMILES CC(C)CNC(=O)[C@H](C)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)\C=C\c1ccc(cc1)C(F)(F)F |r|
Show InChI InChI=1S/C33H44F3N3O4/c1-21(2)17-27(29(40)18-23(5)31(42)37-20-22(3)4)39-32(43)28(19-25-9-7-6-8-10-25)38-30(41)16-13-24-11-14-26(15-12-24)33(34,35)36/h6-16,21-23,27-29,40H,17-20H2,1-5H3,(H,37,42)(H,38,41)(H,39,43)/b16-13+/t23-,27+,28+,29+/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 1.95E+4n/an/an/an/an/an/a



Peking University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant BACE1 using fluorescent peptide substrate after 5 mins

Eur J Med Chem 45: 2089-94 (2010)


Article DOI: 10.1016/j.ejmech.2010.01.044
BindingDB Entry DOI: 10.7270/Q2CF9Q86
More data for this
Ligand-Target Pair