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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Beta-secretase 1 [1-454]' and Ligand = 'BDBM150705'   
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))		BDBM150705
PNG
(US8981112, 12 | US9526727, 12 | US9949975, Example...)
Show SMILES CO[C@@H]1[C@@H](C)C[C@]2(Cc3ccc(cc3[C@]22N=C(N)N(C3COC3)C2=O)C#N)C[C@H]1C |r,t:17|
Show InChI InChI=1S/C23H28N4O3/c1-13-7-22(8-14(2)19(13)29-3)9-16-5-4-15(10-24)6-18(16)23(22)20(28)27(21(25)26-23)17-11-30-12-17/h4-6,13-14,17,19H,7-9,11-12H2,1-3H3,(H2,25,26)/t13-,14+,19+,22+,23-/m1/s1
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars
US Patent
n/an/a 3n/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