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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 = 'BDBM50139111'   
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))		BDBM50139111
PNG
((4R,6S,7S)-7-[(S)-3-Carboxy-3-(3-methyl-butyrylami...)
Show SMILES CC(C)CNC(=O)[C@H](CCC(O)=O)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)C[C@H](NC(=O)CC(C)C)C(O)=O
Show InChI InChI=1S/C28H43N3O8/c1-17(2)12-24(33)31-22(28(38)39)15-25(34)30-21(13-19-8-6-5-7-9-19)23(32)14-20(10-11-26(35)36)27(37)29-16-18(3)4/h5-9,17-18,20-23,32H,10-16H2,1-4H3,(H,29,37)(H,30,34)(H,31,33)(H,35,36)(H,38,39)/t20-,21+,22+,23+/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars
PubMed
 1.70E+3n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Tested for inhibition of Beta-secretase 1 (BACE 1) expressed in insect cell using baculovirus

Bioorg Med Chem Lett 14: 601-4 (2004)


BindingDB Entry DOI: 10.7270/Q21835X0
More data for this
Ligand-Target Pair