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SMILES: O[C@@H](CN(CCc1ccccc1)S(=O)(=O)c1ccccc1)CN1CCN(CC1)C(c1ccccc1)c1ccccc1

InChI Key: InChIKey=AUSSSTYOCBNQQJ-JGCGQSQUSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50330570   
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))		BDBM50330570
PNG
(CHEMBL1278097 | N-[(R)-3-(4-Benzhydryl-piperazin-1...)
Show SMILES O[C@@H](CN(CCc1ccccc1)S(=O)(=O)c1ccccc1)CN1CCN(CC1)C(c1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C34H39N3O3S/c38-32(28-37(22-21-29-13-5-1-6-14-29)41(39,40)33-19-11-4-12-20-33)27-35-23-25-36(26-24-35)34(30-15-7-2-8-16-30)31-17-9-3-10-18-31/h1-20,32,34,38H,21-28H2/t32-/m1/s1
PDB
MMDB

KEGG

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antibodypedia
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CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 5.10E+3n/an/an/an/an/an/a



University of Pisa

Curated by ChEMBL


Assay Description
Inhibition of BACE1 by fluorescence assay

Bioorg Med Chem 18: 7991-6 (2010)


Article DOI: 10.1016/j.bmc.2010.09.032
BindingDB Entry DOI: 10.7270/Q27944X5
More data for this
Ligand-Target Pair