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BDBM11293 4-({4-[(2,3,3-trichloroprop-2-enoyl)oxy]benzene}sulfonyl)phenyl 2,3,3-trichloroprop-2-enoate::Compound 1 analog 4

SMILES: Cl\[#6](Cl)=[#6](\Cl)-[#6](=O)-[#8]-c1ccc(cc1)S(=O)(=O)c1ccc(-[#8]-[#6](=O)-[#6](\Cl)=[#6](/Cl)Cl)cc1

InChI Key: InChIKey=HXYPMMAPDRFFTM-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 11293   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
SARS Coronavirus 3C-like Protease


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM11293
PNG
(4-({4-[(2,3,3-trichloroprop-2-enoyl)oxy]benzene}su...)
Show SMILES ClC(Cl)=C(Cl)C(=O)Oc1ccc(cc1)S(=O)(=O)c1ccc(OC(=O)C(Cl)=C(Cl)Cl)cc1
Show InChI InChI=1S/C18H8Cl6O6S/c19-13(15(21)22)17(25)29-9-1-5-11(6-2-9)31(27,28)12-7-3-10(4-8-12)30-18(26)14(20)16(23)24/h1-8H
PDB
MMDB

KEGG

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PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 900n/an/an/an/a7.025



National Defense Medical Center



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...


J Med Chem 49: 5154-61 (2006)


Article DOI: 10.1021/jm060207o
BindingDB Entry DOI: 10.7270/Q2M906V0
More data for this
Ligand-Target Pair