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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 = 'BDBM50432316'   
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))		BDBM50432316
PNG
(CHEMBL2347874)
Show SMILES Brc1ccc(N2CCN(CCN3C(=O)c4ccccc4C3=O)CC2)c(NC(=O)c2cc3ccccc3o\c2=N/c2ccccc2)c1
Show InChI InChI=1S/C36H30BrN5O4/c37-25-14-15-31(41-19-16-40(17-20-41)18-21-42-35(44)27-11-5-6-12-28(27)36(42)45)30(23-25)39-33(43)29-22-24-8-4-7-13-32(24)46-34(29)38-26-9-2-1-3-10-26/h1-15,22-23H,16-21H2,(H,39,43)/b38-34-
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Similars
Article
PubMed
n/an/a 98n/an/an/an/an/an/a



Tehran University of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of BACE1 (unknown origin) expressed in baculovirus expression system using Rh-EVNLDAEFK-Quencher as substrate after 90 mins by FRET assay

Bioorg Med Chem 21: 2396-412 (2013)


Article DOI: 10.1016/j.bmc.2013.01.064
BindingDB Entry DOI: 10.7270/Q2BV7J12
More data for this
Ligand-Target Pair