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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 = 'BDBM50176858'   
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


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)		BDBM50176858
PNG
(CHEMBL3809579)
Show SMILES CC(C)(C)c1ccc(cc1)N1N=C(\C(=C\c2ccc(o2)-c2ccccc2C(O)=O)C1=O)c1ccccc1 |c:12|
Show InChI InChI=1S/C31H26N2O4/c1-31(2,3)21-13-15-22(16-14-21)33-29(34)26(28(32-33)20-9-5-4-6-10-20)19-23-17-18-27(37-23)24-11-7-8-12-25(24)30(35)36/h4-19H,1-3H3,(H,35,36)/b26-19-
PDB
MMDB

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PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 8.60E+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