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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 = 'BDBM50231683'   
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))
BDBM50231683
PNG
(3-(ethylamino)-N-((2S,3R)-3-hydroxy-4-(1-isobutoxy...)
Show SMILES CCNc1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC(C)(C)COCC(C)C)N1CCCC1=O
Show InChI InChI=1S/C31H46N4O4/c1-6-32-25-16-24(17-26(18-25)35-14-10-13-29(35)37)30(38)34-27(15-23-11-8-7-9-12-23)28(36)19-33-31(4,5)21-39-20-22(2)3/h7-9,11-12,16-18,22,27-28,32-33,36H,6,10,13-15,19-21H2,1-5H3,(H,34,38)/t27-,28+/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 790n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of BACE1


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