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SMILES: CCCS(=O)(=O)N(C)c1cc2NCCCCOc3cccc(C[C@H](NC(=O)c(c2)c1)[C@H](O)CNCc1cccc(c1)C(C)C)c3

InChI Key: InChIKey=HWLAFZXKYIUVHI-SZAHLOSFSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50305542   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Beta-secretase 1


(Homo sapiens (Human))		BDBM50305542
PNG
(CHEMBL595016 | Propane-1-sulfonic acid{(S)-4-[(R)-...)
Show SMILES CCCS(=O)(=O)N(C)c1cc2NCCCCOc3cccc(C[C@H](NC(=O)c(c2)c1)[C@H](O)CNCc1cccc(c1)C(C)C)c3 |r|
Show InChI InChI=1S/C35H48N4O5S/c1-5-16-45(42,43)39(4)31-21-29-20-30(22-31)37-14-6-7-15-44-32-13-9-10-26(18-32)19-33(38-35(29)41)34(40)24-36-23-27-11-8-12-28(17-27)25(2)3/h8-13,17-18,20-22,25,33-34,36-37,40H,5-7,14-16,19,23-24H2,1-4H3,(H,38,41)/t33-,34+/m0/s1
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MMDB

KEGG

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Similars
Article
PubMed
n/an/a 1n/an/an/an/an/an/a



Novartis Institutes for BioMedicalResearch

Curated by ChEMBL


Assay Description
Inhibition of human recombinant BACE1 expressed in Escherichia coli

Bioorg Med Chem Lett 20: 603-7 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.092
BindingDB Entry DOI: 10.7270/Q2H1324C
More data for this
Ligand-Target Pair