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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Beta-secretase 2' and Ligand = 'BDBM50231695'   
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 2


(Homo sapiens (Human))
BDBM50231695
PNG
(CHEMBL404500 | N-((2S,3R)-4-(4-methoxybenzylamino)...)
Show SMILES CCNc1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1ccc(OC)cc1)N1CCCC1=O
Show InChI InChI=1S/C31H38N4O4/c1-3-33-25-17-24(18-26(19-25)35-15-7-10-30(35)37)31(38)34-28(16-22-8-5-4-6-9-22)29(36)21-32-20-23-11-13-27(39-2)14-12-23/h4-6,8-9,11-14,17-19,28-29,32-33,36H,3,7,10,15-16,20-21H2,1-2H3,(H,34,38)/t28-,29+/m0/s1
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>10n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of BACE2


Bioorg Med Chem Lett 18: 1017-21 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.019
BindingDB Entry DOI: 10.7270/Q2J67GP2
More data for this
Ligand-Target Pair