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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 = 'BDBM50231696'   
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))
BDBM50231696
PNG
(CHEMBL252262 | N-((2S,3R)-4-(cyclohexylmethylamino...)
Show SMILES CCNc1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCC1CCCCC1)N1CCCC1=O
Show InChI InChI=1S/C30H42N4O3/c1-2-32-25-17-24(18-26(19-25)34-15-9-14-29(34)36)30(37)33-27(16-22-10-5-3-6-11-22)28(35)21-31-20-23-12-7-4-8-13-23/h3,5-6,10-11,17-19,23,27-28,31-32,35H,2,4,7-9,12-16,20-21H2,1H3,(H,33,37)/t27-,28+/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 5.75E+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