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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 = 'BDBM50176803'   
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...)		BDBM50176803
PNG
(CHEMBL3808558)
Show SMILES OC(=O)c1cccc(c1)N1N=C(\C(=C/c2ccc(o2)-c2ccccc2C(O)=O)C1=O)C(F)(F)F |c:11|
Show InChI InChI=1S/C23H13F3N2O6/c24-23(25,26)19-17(20(29)28(27-19)13-5-3-4-12(10-13)21(30)31)11-14-8-9-18(34-14)15-6-1-2-7-16(15)22(32)33/h1-11H,(H,30,31)(H,32,33)/b17-11+
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PC cid
PC sid
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Similars
Article
PubMed
n/an/a>5.00E+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