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Found 1 hit Enz. Inhib. hit(s) with Target = 'Beta-secretase 1 [1-454]' and Ligand = 'BDBM150716'   
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 [1-454]


(Homo sapiens (Human))		BDBM150716
PNG
(US8981112, 23 | US9526727, 23 | US9949975, Example...)
Show SMILES CO[C@@H]1[C@@H](C)C[C@]2(Cc3ccc(cc3[C@]22N=C(N)N(CC3(F)CCOCC3)C2=O)C#N)C[C@H]1C |r,t:17|
Show InChI InChI=1S/C26H33FN4O3/c1-16-11-24(12-17(2)21(16)33-3)13-19-5-4-18(14-28)10-20(19)26(24)22(32)31(23(29)30-26)15-25(27)6-8-34-9-7-25/h4-5,10,16-17,21H,6-9,11-13,15H2,1-3H3,(H2,29,30)/t16-,17+,21+,24+,26-/m1/s1
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars
US Patent
n/an/a 12n/an/an/an/a4.4n/a



Vitae Pharmaceutical, Inc.

US Patent


Assay Description
The inhibitory activity of compounds was assessed by a fluorescence quench assay of BACE1 activity using commercially available substrate HiLyte Fluo...

US Patent US9526727 (2016)


BindingDB Entry DOI: 10.7270/Q2K936GW
More data for this
Ligand-Target Pair