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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 = 'BDBM50176859'   
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...)		BDBM50176859
PNG
(CHEMBL3809498)
Show SMILES OC(=O)c1ccccc1-c1ccc(\C=C2/C(=O)N(N=C2c2ccccc2)c2ccc(cc2)C#N)o1 |c:19|
Show InChI InChI=1S/C28H17N3O4/c29-17-18-10-12-20(13-11-18)31-27(32)24(26(30-31)19-6-2-1-3-7-19)16-21-14-15-25(35-21)22-8-4-5-9-23(22)28(33)34/h1-16H,(H,33,34)/b24-16-
PDB
MMDB

KEGG

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PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 1.87E+4n/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