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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Endoplasmic reticulum aminopeptidase 1' and Ligand = 'BDBM50519952'   
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
Endoplasmic reticulum aminopeptidase 1


(Homo sapiens (Human))
BDBM50519952
PNG
(CHEMBL4454059)
Show SMILES COc1ccc(cc1S(=O)(=O)Nc1cc(ccc1N1CCN(C)CC1)C(F)(F)F)C(O)=O
Show InChI InChI=1S/C20H22F3N3O5S/c1-25-7-9-26(10-8-25)16-5-4-14(20(21,22)23)12-15(16)24-32(29,30)18-11-13(19(27)28)3-6-17(18)31-2/h3-6,11-12,24H,7-10H2,1-2H3,(H,27,28)
PDB
MMDB

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UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.00E+3n/an/an/an/an/an/a



Kansas University Specialized Chemistry Center

Curated by ChEMBL


Assay Description
Inhibition of recombinant human C-terminal His6-tagged ERAP1 expressed in baculovirus infected BTA-TN-5B1-4 insect cells using WRCYEKMALK as substrat...


J Med Chem 63: 103-121 (2020)


Article DOI: 10.1021/acs.jmedchem.9b00293
BindingDB Entry DOI: 10.7270/Q2DN48D3
More data for this
Ligand-Target Pair