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PDB code 4DJV

Compile Data Set for Download or QSAR

Identical Ligands in BindingDB

Found 1 hit Enzyme Inhibition Constant Data   
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

  (414/414 = 100%)
(Homo sapiens (Human))
BDBM234554
PNG
(US9353089, 327)
Show SMILES COc1cccc(c1)-c1cccc(c1)C1(NC(=N)N(C)C1=O)c1ccccc1
Show InChI InChI=1S/C23H21N3O2/c1-26-21(27)23(25-22(26)24,18-10-4-3-5-11-18)19-12-6-8-16(14-19)17-9-7-13-20(15-17)28-2/h3-15H,1-2H3,(H2,24,25)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
PDB
UniChem
PDB
US Patent
n/an/a 392n/an/an/an/a4.025



Saint Louis University; Guangzhou Institutes of Biomedicine and Health, Chinese Academy of Sciences

US Patent


Assay Description
The recombinant human BACE1, Cathepsin D, and Cathepsin E enzymes were purchased from R&D Systems (catalog numbers are 931-AS, 1014AS and 1294AS, res...


US Patent US9353089 (2016)


BindingDB Entry DOI: 10.7270/Q2GQ6WP6
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)

Search BindingMOAD for More Affinity Data:

* indicates data uncertainty>20%
* 0.9 Tanimoto similarity
Identities from BLAST output