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SMILES: C[C@H]1C[C@]2(Cc3ccc(cc3[C@]22N=C(N)N(CC3CC(F)(F)C3)C2=O)C#N)C[C@@H](C)[C@@H]1O

InChI Key: InChIKey=CLTAABGQIHWOFE-WEVDWVSBSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 156252   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Beta-secretase 1


(Homo sapiens (Human))		BDBM156252
PNG
(US9018391, 14)
Show SMILES C[C@H]1C[C@]2(Cc3ccc(cc3[C@]22N=C(N)N(CC3CC(F)(F)C3)C2=O)C#N)C[C@@H](C)[C@@H]1O |r,t:14|
Show InChI InChI=1S/C24H28F2N4O2/c1-13-6-22(7-14(2)19(13)31)10-17-4-3-15(11-27)5-18(17)24(22)20(32)30(21(28)29-24)12-16-8-23(25,26)9-16/h3-5,13-14,16,19,31H,6-10,12H2,1-2H3,(H2,28,29)/t13-,14+,19+,22+,24-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
US Patent
n/an/a 4.5n/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