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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 = 'BDBM50254747'   
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))
BDBM50254747
PNG
(CHEMBL463865 | N4-((2S,3R)-4-(cyclopropylamino)-3-...)
Show SMILES C[C@@H](NC(=O)c1cc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)CNC2CC2)c2cc(C)oc2c1)c1ccccc1
Show InChI InChI=1S/C32H35N3O4/c1-20-15-26-27(17-24(18-30(26)39-20)31(37)34-21(2)23-11-7-4-8-12-23)32(38)35-28(16-22-9-5-3-6-10-22)29(36)19-33-25-13-14-25/h3-12,15,17-18,21,25,28-29,33,36H,13-14,16,19H2,1-2H3,(H,34,37)(H,35,38)/t21-,28+,29-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of BACE2 expressed in human 293T cells


Bioorg Med Chem Lett 19: 264-74 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.096
BindingDB Entry DOI: 10.7270/Q2ZP4606
More data for this
Ligand-Target Pair