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Compile Data Set for Download or QSAR

Found 1 hit of affinity data for UniProtKB/TrEMBL: Q8R180   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
ERO1-like protein alpha


(Mus musculus)
BDBM50265447
PNG
(CHEMBL4060344)
Show SMILES OC(=O)c1cc(ccc1Cl)C1C=C(\C(=C\c2ccc(o2)-c2ccccc2)C1=O)C(F)(F)F
Show InChI InChI=1S/C24H14ClF3O4/c25-20-8-6-14(10-18(20)23(30)31)16-12-19(24(26,27)28)17(22(16)29)11-15-7-9-21(32-15)13-4-2-1-3-5-13/h1-12,16H,(H,30,31)/b17-11-
PDB

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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.90E+3n/an/an/an/an/an/a



West Virginia University

Curated by ChEMBL


Assay Description
Inhibition of GST-SMT3-tagged mouse ERO1alpha (23 to 464 residues) expressed in Escherichia coli rosetta (DE3) using reduced thioredoxin as substrate...


Bioorg Med Chem Lett 27: 2029-2037 (2017)


Article DOI: 10.1016/j.bmcl.2017.02.068
BindingDB Entry DOI: 10.7270/Q2474DB7
More data for this
Ligand-Target Pair