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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 = 'BDBM50315012'   
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))		BDBM50315012
PNG
(6-((2-(2-chlorophenyl)-5-(4-(pyridin-3-yloxy)pheny...)
Show SMILES Nc1cccc(Cn2c(ccc2-c2ccccc2Cl)-c2ccc(Oc3cccnc3)cc2)n1
Show InChI InChI=1S/C27H21ClN4O/c28-24-8-2-1-7-23(24)26-15-14-25(32(26)18-20-5-3-9-27(29)31-20)19-10-12-21(13-11-19)33-22-6-4-16-30-17-22/h1-17H,18H2,(H2,29,31)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 410n/an/an/an/an/an/a



Princ

Curated by ChEMBL


Assay Description
Inhibition of human recombinant BACE1 expressed CHO cells by FRET assay

Bioorg Med Chem Lett 20: 2068-73 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.075
BindingDB Entry DOI: 10.7270/Q2PG1RWS
More data for this
Ligand-Target Pair