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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = '3C-like proteinase (3CL-PRO)' and Ligand = 'BDBM50176862'   
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
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM50176862
PNG
(CHEMBL3809053)
Show SMILES OC(=O)c1cccc(c1)N1N=C(\C(=C\c2ccc(cc2)-c2ccccc2)C1=O)c1ccccc1
Show InChI InChI=1S/C29H20N2O3/c32-28-26(18-20-14-16-22(17-15-20)21-8-3-1-4-9-21)27(23-10-5-2-6-11-23)30-31(28)25-13-7-12-24(19-25)29(33)34/h1-19H,(H,33,34)/b26-18-
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 6.70E+3n/an/an/an/an/an/a



Academia Sinica

Curated by ChEMBL


Assay Description
Inhibition of SARS coronavirus recombinant 3CL-PRO expressed in Escherichia coli JM109 cells using Dabcyl-KTSAVLQSGFRKME-Edans as fluorogenic substra...


Bioorg Med Chem 24: 3035-3042 (2016)


Article DOI: 10.1016/j.bmc.2016.05.013
BindingDB Entry DOI: 10.7270/Q2ZK5JK9
More data for this
Ligand-Target Pair