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SMILES: COc1ccc(cc1)C(Cc1cccc(c1)-c1ccc(cc1Cl)C(F)(F)F)c1cn(C)c(N)n1

InChI Key: InChIKey=ULERMYDPCRFPQG-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 = 98550   
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))		BDBM98550
PNG
(US8492387, 45)
Show SMILES COc1ccc(cc1)C(Cc1cccc(c1)-c1ccc(cc1Cl)C(F)(F)F)c1cn(C)c(N)n1
Show InChI InChI=1S/C26H23ClF3N3O/c1-33-15-24(32-25(33)31)22(17-6-9-20(34-2)10-7-17)13-16-4-3-5-18(12-16)21-11-8-19(14-23(21)27)26(28,29)30/h3-12,14-15,22H,13H2,1-2H3,(H2,31,32)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.10E+4n/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