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2 similar compounds to monomer 50341992

Compile data set for download or QSAR
Wt: 297.3
BDBM50137863
Wt: 331.7
BDBM50258183

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50137863,50258183   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50137863
PNG
(4-(3-Benzylamino-phenyl)-2,4-dioxo-butyric acid | ...)
Show SMILES OC(=O)C(=O)CC(=O)c1cccc(NCc2ccccc2)c1
Show InChI InChI=1S/C17H15NO4/c19-15(10-16(20)17(21)22)13-7-4-8-14(9-13)18-11-12-5-2-1-3-6-12/h1-9,18H,10-11H2,(H,21,22)
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Article
PubMed
n/an/a 1.67E+4n/an/an/an/an/an/a



Italy. Vinc

Curated by ChEMBL


Assay Description
Inhibitory activity against Hepatitis C virus RNA dependent RNA polymerase nonstructural protein 5B


J Med Chem 47: 14-7 (2003)


Article DOI: 10.1021/jm0342109
BindingDB Entry DOI: 10.7270/Q2736QB8
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50137863
PNG
(4-(3-Benzylamino-phenyl)-2,4-dioxo-butyric acid | ...)
Show SMILES OC(=O)C(=O)CC(=O)c1cccc(NCc2ccccc2)c1
Show InChI InChI=1S/C17H15NO4/c19-15(10-16(20)17(21)22)13-7-4-8-14(9-13)18-11-12-5-2-1-3-6-12/h1-9,18H,10-11H2,(H,21,22)
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Article
PubMed
n/an/a 1.70E+4n/an/an/an/a7.5n/a



Sapienza University of Rome

Curated by ChEMBL


Assay Description
Inhibitory concentration against NS5B HCV polymerase using [alpha-32P]UTP as radioligand (30 degree C for 2 h, at pH 7.5 with Tris-HCl buffer)


J Med Chem 48: 6304-14 (2005)


Article DOI: 10.1021/jm0504454
BindingDB Entry DOI: 10.7270/Q2T43SNM
More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM50258183
PNG
(4-(3-(4-chlorobenzylamino)phenyl)-2-hydroxy-4-oxob...)
Show SMILES OC(=O)C(=O)CC(=O)c1cccc(NCc2ccc(Cl)cc2)c1
Show InChI InChI=1S/C17H14ClNO4/c18-13-6-4-11(5-7-13)10-19-14-3-1-2-12(8-14)15(20)9-16(21)17(22)23/h1-8,19H,9-10H2,(H,22,23)
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PubMed
n/an/a 1.10E+4n/an/an/an/an/an/a



Konkuk University

Curated by ChEMBL


Assay Description
Inhibition of SCV helicase assessed as duplex-DNA unwinding by FRET based assay


Bioorg Med Chem Lett 19: 1636-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.010
BindingDB Entry DOI: 10.7270/Q2CR5T7K
More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM50137863
PNG
(4-(3-Benzylamino-phenyl)-2,4-dioxo-butyric acid | ...)
Show SMILES OC(=O)C(=O)CC(=O)c1cccc(NCc2ccccc2)c1
Show InChI InChI=1S/C17H15NO4/c19-15(10-16(20)17(21)22)13-7-4-8-14(9-13)18-11-12-5-2-1-3-6-12/h1-9,18H,10-11H2,(H,21,22)
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PubMed
n/an/a>5.00E+4n/an/an/an/an/an/a



Konkuk University

Curated by ChEMBL


Assay Description
Inhibition of ATPase activity of SCV helicase assessed as phosphate release by colorimetric assay


Bioorg Med Chem Lett 19: 1636-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.010
BindingDB Entry DOI: 10.7270/Q2CR5T7K
More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM50137863
PNG
(4-(3-Benzylamino-phenyl)-2,4-dioxo-butyric acid | ...)
Show SMILES OC(=O)C(=O)CC(=O)c1cccc(NCc2ccccc2)c1
Show InChI InChI=1S/C17H15NO4/c19-15(10-16(20)17(21)22)13-7-4-8-14(9-13)18-11-12-5-2-1-3-6-12/h1-9,18H,10-11H2,(H,21,22)
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Article
PubMed
n/an/a 5.40E+3n/an/an/an/an/an/a



Konkuk University

Curated by ChEMBL


Assay Description
Inhibition of SCV helicase assessed as duplex-DNA unwinding by FRET based assay


Bioorg Med Chem Lett 19: 1636-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.010
BindingDB Entry DOI: 10.7270/Q2CR5T7K
More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM50258183
PNG
(4-(3-(4-chlorobenzylamino)phenyl)-2-hydroxy-4-oxob...)
Show SMILES OC(=O)C(=O)CC(=O)c1cccc(NCc2ccc(Cl)cc2)c1
Show InChI InChI=1S/C17H14ClNO4/c18-13-6-4-11(5-7-13)10-19-14-3-1-2-12(8-14)15(20)9-16(21)17(22)23/h1-8,19H,9-10H2,(H,22,23)
PDB
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Article
PubMed
n/an/a>5.00E+4n/an/an/an/an/an/a



Konkuk University

Curated by ChEMBL


Assay Description
Inhibition of ATPase activity of SCV helicase assessed as phosphate release by colorimetric assay


Bioorg Med Chem Lett 19: 1636-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.010
BindingDB Entry DOI: 10.7270/Q2CR5T7K
More data for this
Ligand-Target Pair