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6 similar compounds to monomer 50297257

Compile data set for download or QSAR
Wt: 314.2
BDBM50297251
Wt: 426.8
BDBM50297252
Wt: 426.8
BDBM50297253
Wt: 417.3
BDBM50297254
Wt: 438.8
BDBM50297255
Wt: 438.8
BDBM50297256

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 12 hits for monomerid = 50297251,50297252,50297253,50297254,50297255,50297256   
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
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM50297256
PNG
(2-Benzo[1,3]dioxol-5-yl-7-(3-chloro-benzyloxy)-3,5...)
Show SMILES Oc1cc(OCc2cccc(Cl)c2)cc2oc(c(O)c(=O)c12)-c1ccc2OCOc2c1
Show InChI InChI=1S/C23H15ClO7/c24-14-3-1-2-12(6-14)10-28-15-8-16(25)20-19(9-15)31-23(22(27)21(20)26)13-4-5-17-18(7-13)30-11-29-17/h1-9,25,27H,10-11H2
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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 SARS coronavirus helicase assessed as phosphate release by malachite green assay


Bioorg Med Chem Lett 19: 4538-41 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.009
BindingDB Entry DOI: 10.7270/Q2H41RGD
More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM50297256
PNG
(2-Benzo[1,3]dioxol-5-yl-7-(3-chloro-benzyloxy)-3,5...)
Show SMILES Oc1cc(OCc2cccc(Cl)c2)cc2oc(c(O)c(=O)c12)-c1ccc2OCOc2c1
Show InChI InChI=1S/C23H15ClO7/c24-14-3-1-2-12(6-14)10-28-15-8-16(25)20-19(9-15)31-23(22(27)21(20)26)13-4-5-17-18(7-13)30-11-29-17/h1-9,25,27H,10-11H2
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Article
PubMed
n/an/a 1.54E+4n/an/an/an/an/an/a



Konkuk University

Curated by ChEMBL


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


Bioorg Med Chem Lett 19: 4538-41 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.009
BindingDB Entry DOI: 10.7270/Q2H41RGD
More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM50297252
PNG
(7-(4-Chloro-benzyloxy)-2-(3,4-dihydroxy-phenyl)-3,...)
Show SMILES Oc1ccc(cc1O)-c1oc2cc(OCc3ccc(Cl)cc3)cc(O)c2c(=O)c1O
Show InChI InChI=1S/C22H15ClO7/c23-13-4-1-11(2-5-13)10-29-14-8-17(26)19-18(9-14)30-22(21(28)20(19)27)12-3-6-15(24)16(25)7-12/h1-9,24-26,28H,10H2
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Article
PubMed
n/an/a 2.09E+4n/an/an/an/an/an/a



Konkuk University

Curated by ChEMBL


Assay Description
Inhibition of ATPase activity of SARS coronavirus helicase assessed as phosphate release by malachite green assay


Bioorg Med Chem Lett 19: 4538-41 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.009
BindingDB Entry DOI: 10.7270/Q2H41RGD
More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM50297254
PNG
(3-[2-(3,4-Dihydroxy-phenyl)-3,5-dihydroxy-4-oxo-4H...)
Show SMILES Oc1ccc(cc1O)-c1oc2cc(OCc3cccc(c3)C#N)cc(O)c2c(=O)c1O
Show InChI InChI=1S/C23H15NO7/c24-10-12-2-1-3-13(6-12)11-30-15-8-18(27)20-19(9-15)31-23(22(29)21(20)28)14-4-5-16(25)17(26)7-14/h1-9,25-27,29H,11H2
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Article
PubMed
n/an/a 2.54E+4n/an/an/an/an/an/a



Konkuk University

Curated by ChEMBL


Assay Description
Inhibition of ATPase activity of SARS coronavirus helicase assessed as phosphate release by malachite green assay


Bioorg Med Chem Lett 19: 4538-41 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.009
BindingDB Entry DOI: 10.7270/Q2H41RGD
More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM50297253
PNG
(7-(3-Chloro-benzyloxy)-2-(3,4-dihydroxy-phenyl)-3,...)
Show SMILES Oc1ccc(cc1O)-c1oc2cc(OCc3cccc(Cl)c3)cc(O)c2c(=O)c1O
Show InChI InChI=1S/C22H15ClO7/c23-13-3-1-2-11(6-13)10-29-14-8-17(26)19-18(9-14)30-22(21(28)20(19)27)12-4-5-15(24)16(25)7-12/h1-9,24-26,28H,10H2
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 SARS coronavirus helicase assessed as phosphate release by malachite green assay


Bioorg Med Chem Lett 19: 4538-41 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.009
BindingDB Entry DOI: 10.7270/Q2H41RGD
More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM50297255
PNG
(2-Benzo[1,3]dioxol-5-yl-7-(4-chloro-benzyloxy)-3,5...)
Show SMILES Oc1cc(OCc2ccc(Cl)cc2)cc2oc(c(O)c(=O)c12)-c1ccc2OCOc2c1
Show InChI InChI=1S/C23H15ClO7/c24-14-4-1-12(2-5-14)10-28-15-8-16(25)20-19(9-15)31-23(22(27)21(20)26)13-3-6-17-18(7-13)30-11-29-17/h1-9,25,27H,10-11H2
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Article
PubMed
n/an/a 9.30E+3n/an/an/an/an/an/a



Konkuk University

Curated by ChEMBL


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


Bioorg Med Chem Lett 19: 4538-41 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.009
BindingDB Entry DOI: 10.7270/Q2H41RGD
More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM50297253
PNG
(7-(3-Chloro-benzyloxy)-2-(3,4-dihydroxy-phenyl)-3,...)
Show SMILES Oc1ccc(cc1O)-c1oc2cc(OCc3cccc(Cl)c3)cc(O)c2c(=O)c1O
Show InChI InChI=1S/C22H15ClO7/c23-13-3-1-2-11(6-13)10-29-14-8-17(26)19-18(9-14)30-22(21(28)20(19)27)12-4-5-15(24)16(25)7-12/h1-9,24-26,28H,10H2
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Article
PubMed
n/an/a 5.20E+3n/an/an/an/an/an/a



Konkuk University

Curated by ChEMBL


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


Bioorg Med Chem Lett 19: 4538-41 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.009
BindingDB Entry DOI: 10.7270/Q2H41RGD
More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM50297255
PNG
(2-Benzo[1,3]dioxol-5-yl-7-(4-chloro-benzyloxy)-3,5...)
Show SMILES Oc1cc(OCc2ccc(Cl)cc2)cc2oc(c(O)c(=O)c12)-c1ccc2OCOc2c1
Show InChI InChI=1S/C23H15ClO7/c24-14-4-1-12(2-5-14)10-28-15-8-16(25)20-19(9-15)31-23(22(27)21(20)26)13-3-6-17-18(7-13)30-11-29-17/h1-9,25,27H,10-11H2
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UniChem

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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 SARS coronavirus helicase assessed as phosphate release by malachite green assay


Bioorg Med Chem Lett 19: 4538-41 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.009
BindingDB Entry DOI: 10.7270/Q2H41RGD
More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM50297251
PNG
(2-Benzo[1,3]dioxol-5-yl-3,5,7-trihydroxy-chromen-4...)
Show SMILES Oc1cc(O)c2c(c1)oc(-c1ccc3OCOc3c1)c(O)c2=O
Show InChI InChI=1S/C16H10O7/c17-8-4-9(18)13-12(5-8)23-16(15(20)14(13)19)7-1-2-10-11(3-7)22-6-21-10/h1-5,17-18,20H,6H2
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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 SARS coronavirus helicase assessed as phosphate release by malachite green assay


Bioorg Med Chem Lett 19: 4538-41 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.009
BindingDB Entry DOI: 10.7270/Q2H41RGD
More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM50297252
PNG
(7-(4-Chloro-benzyloxy)-2-(3,4-dihydroxy-phenyl)-3,...)
Show SMILES Oc1ccc(cc1O)-c1oc2cc(OCc3ccc(Cl)cc3)cc(O)c2c(=O)c1O
Show InChI InChI=1S/C22H15ClO7/c23-13-4-1-11(2-5-13)10-29-14-8-17(26)19-18(9-14)30-22(21(28)20(19)27)12-3-6-15(24)16(25)7-12/h1-9,24-26,28H,10H2
PDB
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UniChem

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Article
PubMed
n/an/a 4.10E+3n/an/an/an/an/an/a



Konkuk University

Curated by ChEMBL


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


Bioorg Med Chem Lett 19: 4538-41 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.009
BindingDB Entry DOI: 10.7270/Q2H41RGD
More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM50297251
PNG
(2-Benzo[1,3]dioxol-5-yl-3,5,7-trihydroxy-chromen-4...)
Show SMILES Oc1cc(O)c2c(c1)oc(-c1ccc3OCOc3c1)c(O)c2=O
Show InChI InChI=1S/C16H10O7/c17-8-4-9(18)13-12(5-8)23-16(15(20)14(13)19)7-1-2-10-11(3-7)22-6-21-10/h1-5,17-18,20H,6H2
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 SARS coronavirus helicase assessed as duplex-DNA unwinding by FRET based assay


Bioorg Med Chem Lett 19: 4538-41 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.009
BindingDB Entry DOI: 10.7270/Q2H41RGD
More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM50297254
PNG
(3-[2-(3,4-Dihydroxy-phenyl)-3,5-dihydroxy-4-oxo-4H...)
Show SMILES Oc1ccc(cc1O)-c1oc2cc(OCc3cccc(c3)C#N)cc(O)c2c(=O)c1O
Show InChI InChI=1S/C23H15NO7/c24-10-12-2-1-3-13(6-12)11-30-15-8-18(27)20-19(9-15)31-23(22(29)21(20)28)14-4-5-16(25)17(26)7-14/h1-9,25-27,29H,11H2
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Article
PubMed
n/an/a 2.70E+3n/an/an/an/an/an/a



Konkuk University

Curated by ChEMBL


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


Bioorg Med Chem Lett 19: 4538-41 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.009
BindingDB Entry DOI: 10.7270/Q2H41RGD
More data for this
Ligand-Target Pair