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Found 1 hit Enz. Inhib. hit(s) with Target = 'Beta-secretase 1 [1-454]' and Ligand = 'BDBM150712'   
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))		BDBM150712
PNG
(US8981112, 19 | US9526727, 19 | US9949975, Example...)
Show SMILES CO[C@@H]1[C@@H](C)C[C@]2(Cc3ccc(cc3[C@]22N=C(N)N(CCC3COC3)C2=O)C#N)C[C@H]1C |r,t:17|
Show InChI InChI=1S/C25H32N4O3/c1-15-9-24(10-16(2)21(15)31-3)11-19-5-4-17(12-26)8-20(19)25(24)22(30)29(23(27)28-25)7-6-18-13-32-14-18/h4-5,8,15-16,18,21H,6-7,9-11,13-14H2,1-3H3,(H2,27,28)/t15-,16+,21+,24+,25-/m1/s1
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars
US Patent
n/an/a 6n/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