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SMILES: Brc1ccc(N2CCN(CCc3cc4ccccc4[nH]3)CC2)c(NC(=O)c2cc3ccccc3o\c2=N/c2ccccc2)c1

InChI Key: InChIKey=YTIUQAJUUIPSNK-HYLXNHFUSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50432313   
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))		BDBM50432313
PNG
(CHEMBL2347877)
Show SMILES Brc1ccc(N2CCN(CCc3cc4ccccc4[nH]3)CC2)c(NC(=O)c2cc3ccccc3o\c2=N/c2ccccc2)c1
Show InChI InChI=1S/C36H32BrN5O2/c37-27-14-15-33(42-20-18-41(19-21-42)17-16-29-22-25-8-4-6-12-31(25)38-29)32(24-27)40-35(43)30-23-26-9-5-7-13-34(26)44-36(30)39-28-10-2-1-3-11-28/h1-15,22-24,38H,16-21H2,(H,40,43)/b39-36-
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 928n/an/an/an/an/an/a



Tehran University of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of BACE1 (unknown origin) expressed in baculovirus expression system using Rh-EVNLDAEFK-Quencher as substrate after 90 mins by FRET assay

Bioorg Med Chem 21: 2396-412 (2013)


Article DOI: 10.1016/j.bmc.2013.01.064
BindingDB Entry DOI: 10.7270/Q2BV7J12
More data for this
Ligand-Target Pair