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Compile Data Set for Download or QSAR

Found 1 hit of ki for monomerid = 50379871   
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))
BDBM50379871
PNG
(CHEMBL2011995)
Show SMILES CN1C(N)=NC(C1=O)(c1cccnc1)c1cccc(c1)-c1cccc(Cl)c1 |c:3|
Show InChI InChI=1S/C21H17ClN4O/c1-26-19(27)21(25-20(26)23,17-8-4-10-24-13-17)16-7-2-5-14(11-16)15-6-3-9-18(22)12-15/h2-13H,1H3,(H2,23,25)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
170n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human BACE1 using QSY7EISEVNLDAEFC-Eu-amide as substrate incubated for 30 mins prior to substrate addition measured after 90 mins by FR...


Bioorg Med Chem Lett 22: 2444-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.013
BindingDB Entry DOI: 10.7270/Q2N58NC2
More data for this
Ligand-Target Pair