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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Endoplasmic reticulum aminopeptidase 1' and Ligand = 'BDBM50519947'   
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))
BDBM50519947
PNG
(CHEMBL4515471)
Show SMILES CC(=O)N1CCN(CC1)C(=O)C1(CCCCC1)NC(=N)Nc1ccccc1
Show InChI InChI=1S/C20H29N5O2/c1-16(26)24-12-14-25(15-13-24)18(27)20(10-6-3-7-11-20)23-19(21)22-17-8-4-2-5-9-17/h2,4-5,8-9H,3,6-7,10-15H2,1H3,(H3,21,22,23)
PDB
MMDB

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UniProtKB/SwissProt

B.MOAD
antibodypedia
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.06E+4n/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 L-AMC as substrate mea...


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
Endoplasmic reticulum aminopeptidase 1


(Homo sapiens (Human))
BDBM50519947
PNG
(CHEMBL4515471)
Show SMILES CC(=O)N1CCN(CC1)C(=O)C1(CCCCC1)NC(=N)Nc1ccccc1
Show InChI InChI=1S/C20H29N5O2/c1-16(26)24-12-14-25(15-13-24)18(27)20(10-6-3-7-11-20)23-19(21)22-17-8-4-2-5-9-17/h2,4-5,8-9H,3,6-7,10-15H2,1H3,(H3,21,22,23)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.35E+5n/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