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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Cysteine protease ATG4B' and Ligand = 'BDBM50528263'   
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
Cysteine protease ATG4B


(Homo sapiens (Human))
BDBM50528263
PNG
(CHEMBL4572018)
Show SMILES CCCCC(O)CNc1cc2C(=O)Nc3cccc(c1)c23
Show InChI InChI=1S/C17H20N2O2/c1-2-3-6-13(20)10-18-12-8-11-5-4-7-15-16(11)14(9-12)17(21)19-15/h4-5,7-9,13,18,20H,2-3,6,10H2,1H3,(H,19,21)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.15E+5n/an/an/an/an/an/a



Institute of Advanced Chemistry of Catalonia

Curated by ChEMBL


Assay Description
Inhibition of ATG4B (unknown origin) using N-(His)6-LC3B(L123C) as substrate preincubated for 1 hr followed by substrate addition and measured after ...


Eur J Med Chem 178: 648-666 (2019)


Article DOI: 10.1016/j.ejmech.2019.05.086
BindingDB Entry DOI: 10.7270/Q2V40ZNV
More data for this
Ligand-Target Pair
Cysteine protease ATG4B


(Homo sapiens (Human))
BDBM50528263
PNG
(CHEMBL4572018)
Show SMILES CCCCC(O)CNc1cc2C(=O)Nc3cccc(c1)c23
Show InChI InChI=1S/C17H20N2O2/c1-2-3-6-13(20)10-18-12-8-11-5-4-7-15-16(11)14(9-12)17(21)19-15/h4-5,7-9,13,18,20H,2-3,6,10H2,1H3,(H,19,21)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.35E+5n/an/an/an/an/an/a



Institute of Advanced Chemistry of Catalonia

Curated by ChEMBL


Assay Description
Inhibition of ATG4B (unknown origin) using N-(His)6-LC3B(L123C)Biotin as substrate preincubated for 30 mins and measured after 1 hr by AlphaScreen me...


Eur J Med Chem 178: 648-666 (2019)


Article DOI: 10.1016/j.ejmech.2019.05.086
BindingDB Entry DOI: 10.7270/Q2V40ZNV
More data for this
Ligand-Target Pair