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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 = 'BDBM156242'   
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))		BDBM156242
PNG
(US9018391, 4)
Show SMILES C[C@H]1C[C@]2(Cc3ccc(cc3[C@]22N=C(N)N(CC3(F)CCOCC3)C2=O)C#N)C[C@@H](C)[C@@H]1O |r,t:14|
Show InChI InChI=1S/C25H31FN4O3/c1-15-10-23(11-16(2)20(15)31)12-18-4-3-17(13-27)9-19(18)25(23)21(32)30(22(28)29-25)14-24(26)5-7-33-8-6-24/h3-4,9,15-16,20,31H,5-8,10-12,14H2,1-2H3,(H2,28,29)/t15-,16+,20+,23+,25-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
US Patent
n/an/a 2.70n/an/an/an/a4.4n/a



Boehringer Ingelheim International GmbH; Vitae Pharmaceuticals, 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 US9018391 (2015)


BindingDB Entry DOI: 10.7270/Q2QN65HR
More data for this
Ligand-Target Pair