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SMILES: O[C@H](CN(CC1CC1)S(=O)(=O)c1ccc(Cl)c(Cl)c1)CN1CCN(CC1)C(c1ccccc1)c1ccccc1

InChI Key: InChIKey=FQUWLGICPYBBAF-SANMLTNESA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50330573   
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))		BDBM50330573
PNG
(CHEMBL1276932 | N-[(S)-3-(4-Benzhydryl-piperazin-1...)
Show SMILES O[C@H](CN(CC1CC1)S(=O)(=O)c1ccc(Cl)c(Cl)c1)CN1CCN(CC1)C(c1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C30H35Cl2N3O3S/c31-28-14-13-27(19-29(28)32)39(37,38)35(20-23-11-12-23)22-26(36)21-33-15-17-34(18-16-33)30(24-7-3-1-4-8-24)25-9-5-2-6-10-25/h1-10,13-14,19,23,26,30,36H,11-12,15-18,20-22H2/t26-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars
Article
PubMed
n/an/a 4.70E+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