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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 = 'BDBM50316862'   
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))
BDBM50316862
PNG
(CHEMBL1099023 | N-((S)-1-((4S,5S,7R)-5-hydroxy-8-(...)
Show SMILES COc1ccc(cc1OC)C(=O)N[C@@H](Cc1ccc(cc1)[N+]([O-])=O)C(=O)N[C@@H](CC(C)C)[C@@H](O)C[C@@H](C)C(=O)NCC(C)C |r|
Show InChI InChI=1S/C32H46N4O8/c1-19(2)14-25(27(37)15-21(5)30(38)33-18-20(3)4)34-32(40)26(16-22-8-11-24(12-9-22)36(41)42)35-31(39)23-10-13-28(43-6)29(17-23)44-7/h8-13,17,19-21,25-27,37H,14-16,18H2,1-7H3,(H,33,38)(H,34,40)(H,35,39)/t21-,25+,26+,27+/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 3.81E+3n/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