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SMILES: COc1ccc2c(CCC2(Cc2ccc(nc2)C(F)(F)F)c2cn(Cc3ccccc3)c(N)n2)c1

InChI Key: InChIKey=ZMBNCXPSSNTXIA-UHFFFAOYSA-N

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 98554   
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))		BDBM98554
PNG
(US8492387, 114)
Show SMILES COc1ccc2c(CCC2(Cc2ccc(nc2)C(F)(F)F)c2cn(Cc3ccccc3)c(N)n2)c1
Show InChI InChI=1S/C27H25F3N4O/c1-35-21-8-9-22-20(13-21)11-12-26(22,14-19-7-10-23(32-15-19)27(28,29)30)24-17-34(25(31)33-24)16-18-5-3-2-4-6-18/h2-10,13,15,17H,11-12,14,16H2,1H3,(H2,31,33)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
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PC cid
PC sid
UniChem

Similars
US Patent
n/an/a 63n/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