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SMILES: COc1ccc2c(CC(=O)Nc3cc(Br)ccc3N3CCN(CC3)S(=O)(=O)c3cccs3)cc(=O)oc2c1

InChI Key: InChIKey=WJDUMPCDCRWBCS-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50180395   
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))		BDBM50180395
PNG
(CHEMBL205637 | N-(5-bromo-2-(4-(thiophen-2-ylsulfo...)
Show SMILES COc1ccc2c(CC(=O)Nc3cc(Br)ccc3N3CCN(CC3)S(=O)(=O)c3cccs3)cc(=O)oc2c1
Show InChI InChI=1S/C26H24BrN3O6S2/c1-35-19-5-6-20-17(14-25(32)36-23(20)16-19)13-24(31)28-21-15-18(27)4-7-22(21)29-8-10-30(11-9-29)38(33,34)26-3-2-12-37-26/h2-7,12,14-16H,8-11,13H2,1H3,(H,28,31)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.13E+3n/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Inhibition of BACE1 activity by FRET assay

Bioorg Med Chem Lett 16: 1995-9 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.064
BindingDB Entry DOI: 10.7270/Q29W0F2N
More data for this
Ligand-Target Pair