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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Beta-secretase 1' and Ligand = 'BDBM50138282'   
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))		BDBM50138282
PNG
(CHEMBL3753360)
Show SMILES C(CCCNc1c2CCCCc2nc2ccccc12)CCCN(Cc1cc2ccccc2o1)Cc1cc2ccccc2o1
Show InChI InChI=1S/C38H41N3O2/c1(2-12-22-39-38-32-16-6-8-18-34(32)40-35-19-9-7-17-33(35)38)3-13-23-41(26-30-24-28-14-4-10-20-36(28)42-30)27-31-25-29-15-5-11-21-37(29)43-31/h4-6,8,10-11,14-16,18,20-21,24-25H,1-3,7,9,12-13,17,19,22-23,26-27H2,(H,39,40)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 620n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human BACE-1 using M-2420 as substrate preincubated for 1 hr followed by substrate addition measured after 15 mins by FRET ...

J Med Chem 59: 114-31 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01119
BindingDB Entry DOI: 10.7270/Q2S75J5X
More data for this
Ligand-Target Pair