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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 = 'BDBM50316863'   
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))		BDBM50316863
PNG
(2,4-dichloro-N-((S)-1-((4S,5S,7R)-5-hydroxy-8-(iso...)
Show SMILES CC(C)CNC(=O)[C@H](C)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(cc1)[N+]([O-])=O)NC(=O)c1ccc(Cl)cc1Cl |r|
Show InChI InChI=1S/C30H40Cl2N4O6/c1-17(2)12-25(27(37)13-19(5)28(38)33-16-18(3)4)34-30(40)26(14-20-6-9-22(10-7-20)36(41)42)35-29(39)23-11-8-21(31)15-24(23)32/h6-11,15,17-19,25-27,37H,12-14,16H2,1-5H3,(H,33,38)(H,34,40)(H,35,39)/t19-,25+,26+,27+/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 4.24E+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