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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 = 'BDBM50231675'   
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))
BDBM50231675
PNG
(CHEMBL402122 | N-((2S,3R)-4-(cyclopentylamino)-3-h...)
Show SMILES CCNc1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CCCC1)N1CCCC1=O
Show InChI InChI=1S/C28H38N4O3/c1-2-29-23-16-21(17-24(18-23)32-14-8-13-27(32)34)28(35)31-25(15-20-9-4-3-5-10-20)26(33)19-30-22-11-6-7-12-22/h3-5,9-10,16-18,22,25-26,29-30,33H,2,6-8,11-15,19H2,1H3,(H,31,35)/t25-,26+/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4.17E+4n/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