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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 = 'BDBM50197297'   
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
Replicase polyprotein 1ab


(2019-nCoV)
BDBM50197297
PNG
(CHEMBL3928799 | ebselen derivative 2d)
Show SMILES Oc1ccccc1NC(=O)c1ccccc1[Se][Se]c1ccccc1C(=O)Nc1ccccc1O
Show InChI InChI=1S/C26H20N2O4Se2/c29-21-13-5-3-11-19(21)27-25(31)17-9-1-7-15-23(17)33-34-24-16-8-2-10-18(24)26(32)28-20-12-4-6-14-22(20)30/h1-16,29-30H,(H,27,31)(H,28,32)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

n/an/a 339n/an/an/an/an/an/a



University ofAmsterdam



Assay Description
The inhibitor was screened against recombinant PL​pro​SARS and PL​pro​CoV2 at 37°Cin the assay buffer as described above. For...


bioRxiv 1-12 (2020)


BindingDB Entry DOI: 10.7270/Q2RX9FGT
More data for this
Ligand-Target Pair