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PubMed code 16250632

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
Papain-like protease (PLpro)


(Human SARS coronavirus (SARS-CoV))
BDBM11245
PNG
(AG7088 analogue 1c | CHEMBL194398 | ethyl (2E,4S)-...)
Show SMILES CCOC(=O)\C=C\[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@@H](CC(=O)[C@@H](NC(=O)c1cc(C)on1)C(C)C)Cc1ccccc1
Show InChI InChI=1S/C31H40N4O7/c1-5-41-27(37)12-11-24(17-22-13-14-32-29(22)38)33-30(39)23(16-21-9-7-6-8-10-21)18-26(36)28(19(2)3)34-31(40)25-15-20(4)42-35-25/h6-12,15,19,22-24,28H,5,13-14,16-18H2,1-4H3,(H,32,38)(H,33,39)(H,34,40)/b12-11+/t22-,23+,24+,28-/m0/s1
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Similars

Article
PubMed
n/an/a 4.50E+4n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibitory concentration required for antiviral activity against SARS-CoV 3CLpro protease


J Med Chem 48: 6767-71 (2005)


Article DOI: 10.1021/jm050548m
BindingDB Entry DOI: 10.7270/Q28W3CVZ
More data for this
Ligand-Target Pair
Papain-like protease (PLpro)


(Human SARS coronavirus (SARS-CoV))
BDBM50176014
PNG
((S,E)-ethyl 4-((2R,5S)-6-methyl-2-(3-methylbut-2-e...)
Show SMILES CCOC(=O)\C=C\[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](CC=C(C)C)CC(=O)[C@@H](NC(=O)c1cc(C)on1)C(C)C
Show InChI InChI=1S/C29H42N4O7/c1-7-39-25(35)11-10-22(15-21-12-13-30-27(21)36)31-28(37)20(9-8-17(2)3)16-24(34)26(18(4)5)32-29(38)23-14-19(6)40-33-23/h8,10-11,14,18,20-22,26H,7,9,12-13,15-16H2,1-6H3,(H,30,36)(H,31,37)(H,32,38)/b11-10+/t20-,21+,22-,26+/m1/s1
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PDB
Article
PubMed
n/an/a 7.00E+4n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibitory concentration required for antiviral activity against SARS-CoV 3CLpro protease


J Med Chem 48: 6767-71 (2005)


Article DOI: 10.1021/jm050548m
BindingDB Entry DOI: 10.7270/Q28W3CVZ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
* indicates data uncertainty>20%