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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Replicase polyprotein 1ab' and Ligand = 'BDBM50523950'   
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
Replicase polyprotein 1ab


(Middle East respiratory syndrome-related coronavir...)
BDBM50523950
PNG
(CHEMBL1368663)
Show SMILES COCC(=O)\C=C1/Sc2ccccc2N1C
Show InChI InChI=1S/C12H13NO2S/c1-13-10-5-3-4-6-11(10)16-12(13)7-9(14)8-15-2/h3-7H,8H2,1-2H3/b12-7-
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 7.60E+3n/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Binding affinity to MERS-CoV papain-like protease by SPR analysis


Bioorg Med Chem 27: 1981-1989 (2019)


Article DOI: 10.1016/j.bmc.2019.03.050
BindingDB Entry DOI: 10.7270/Q20868RT
More data for this
Ligand-Target Pair