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SMILES: COc1ccc2c(CCC2(Cc2ccc(nc2)C(F)(F)F)c2cn(CCCO)c(N)n2)c1

InChI Key: InChIKey=FNZBCPXUDIYPTM-UHFFFAOYSA-N

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 98555   
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))		BDBM98555
PNG
(US8492387, 126)
Show SMILES COc1ccc2c(CCC2(Cc2ccc(nc2)C(F)(F)F)c2cn(CCCO)c(N)n2)c1
Show InChI InChI=1S/C23H25F3N4O2/c1-32-17-4-5-18-16(11-17)7-8-22(18,20-14-30(9-2-10-31)21(27)29-20)12-15-3-6-19(28-13-15)23(24,25)26/h3-6,11,13-14,31H,2,7-10,12H2,1H3,(H2,27,29)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
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PC cid
PC sid
UniChem

Similars
US Patent
n/an/a 3.30E+3n/an/an/an/a6.5n/a



Merck, Sharp & Dohme, Corp.

US Patent


Assay Description
End point electrochemiluminescence (ECL) assay: a homogeneous ECL assay is performed using a biotinylated BACE substrate.

US Patent US8492387 (2013)


BindingDB Entry DOI: 10.7270/Q2DB80FN
More data for this
Ligand-Target Pair