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SMILES: O[C@H](CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)CN1CCN(CC1)C(c1ccccc1)c1ccccc1

InChI Key: InChIKey=VNUQQIBXPYYBII-HKBQPEDESA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50330569   
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))		BDBM50330569
PNG
(CHEMBL1278005 | N-[(S)-3-(4-Benzhydryl-piperazin-1...)
Show SMILES O[C@H](CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)CN1CCN(CC1)C(c1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C33H36ClN3O3S/c34-30-16-18-32(19-17-30)41(39,40)37(24-27-10-4-1-5-11-27)26-31(38)25-35-20-22-36(23-21-35)33(28-12-6-2-7-13-28)29-14-8-3-9-15-29/h1-19,31,33,38H,20-26H2/t31-/m0/s1
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KEGG

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antibodypedia
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CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 5.40E+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