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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Beta-secretase 1' and Ligand = 'BDBM16743'   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Beta-secretase 1


(Homo sapiens (Human))		BDBM16743
PNG
(Coumarin Compound, 10a | N-[5-bromo-2-(morpholin-4...)
Show SMILES COc1cccc2cc(C(=O)Nc3cc(Br)ccc3N3CCOCC3)c(=O)oc12
Show InChI InChI=1S/C21H19BrN2O5/c1-27-18-4-2-3-13-11-15(21(26)29-19(13)18)20(25)23-16-12-14(22)5-6-17(16)24-7-9-28-10-8-24/h2-6,11-12H,7-10H2,1H3,(H,23,25)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 1.00E+4n/an/an/an/an/an/a



Applied Science University

Curated by ChEMBL


Assay Description
Inhibition of BACE1 after 2 hrs by FRET assay

Bioorg Med Chem 18: 3088-115 (2010)


Article DOI: 10.1016/j.bmc.2010.03.043
BindingDB Entry DOI: 10.7270/Q2ZG6SFR
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM16743
PNG
(Coumarin Compound, 10a | N-[5-bromo-2-(morpholin-4...)
Show SMILES COc1cccc2cc(C(=O)Nc3cc(Br)ccc3N3CCOCC3)c(=O)oc12
Show InChI InChI=1S/C21H19BrN2O5/c1-27-18-4-2-3-13-11-15(21(26)29-19(13)18)20(25)23-16-12-14(22)5-6-17(16)24-7-9-28-10-8-24/h2-6,11-12H,7-10H2,1H3,(H,23,25)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Universite de la Mediterranee



Assay Description
These experiments have been preformed using BACE-1 FRET assay kit (PanVera Corporation, Madison, WI), using a multiwell spectrofluorometer instrument...

J Med Chem 49: 4275-85 (2006)


Article DOI: 10.1021/jm0602864
BindingDB Entry DOI: 10.7270/Q2QN651G
More data for this
Ligand-Target Pair