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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 = 'BDBM50176857'   
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...)		BDBM50176857
PNG
(CHEMBL3809506)
Show SMILES CC(C)c1ccc(cc1)N1N=C(\C(=C\c2ccc(o2)-c2ccccc2C(O)=O)C1=O)c1ccccc1 |c:11|
Show InChI InChI=1S/C30H24N2O4/c1-19(2)20-12-14-22(15-13-20)32-29(33)26(28(31-32)21-8-4-3-5-9-21)18-23-16-17-27(36-23)24-10-6-7-11-25(24)30(34)35/h3-19H,1-2H3,(H,34,35)/b26-18-
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PC cid
PC sid
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Similars
Article
PubMed
n/an/a 1.17E+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