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PubMed code 18343121

Compile data set for download or QSAR
Found 2 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM23308
PNG
(3-benzyl-1-[(6,7-dimethyl-2-oxo-1,2-dihydroquinoli...)
Show SMILES Cc1ccccc1CCN(Cc1cc2cc(C)c(C)cc2[nH]c1=O)C(=O)NCc1ccccc1
Show InChI InChI=1S/C29H31N3O2/c1-20-9-7-8-12-24(20)13-14-32(29(34)30-18-23-10-5-4-6-11-23)19-26-17-25-15-21(2)22(3)16-27(25)31-28(26)33/h4-12,15-17H,13-14,18-19H2,1-3H3,(H,30,34)(H,31,33)
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.72E+4n/an/an/an/a7.425



University of Mississippi



Assay Description
The effects of compound on enzyme activity were measured by using a fluorogenic peptide cleavage assay. Enhanced fluorescence caused by cleavage of t...


Bioorg Med Chem 16: 4138-49 (2008)


Article DOI: 10.1016/j.bmc.2008.01.011
BindingDB Entry DOI: 10.7270/Q2R20ZN7
More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM23307
PNG
(2-[(2-cyclohexylquinazolin-4-yl)sulfanyl]-N-(furan...)
Show SMILES O=C(CSc1nc(nc2ccccc12)C1CCCCC1)NCc1ccco1
Show InChI InChI=1S/C21H23N3O2S/c25-19(22-13-16-9-6-12-26-16)14-27-21-17-10-4-5-11-18(17)23-20(24-21)15-7-2-1-3-8-15/h4-6,9-12,15H,1-3,7-8,13-14H2,(H,22,25)
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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 1.82E+4n/an/an/an/a7.425



University of Mississippi



Assay Description
The effects of compound on enzyme activity were measured by using a fluorogenic peptide cleavage assay. Enhanced fluorescence caused by cleavage of t...


Bioorg Med Chem 16: 4138-49 (2008)


Article DOI: 10.1016/j.bmc.2008.01.011
BindingDB Entry DOI: 10.7270/Q2R20ZN7
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%