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Compile Data Set for Download or QSAR

Found 65 hits Enz. Inhib. hit(s) with Target = 'DNA topoisomerase 1'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
DNA topoisomerase 1


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM50259242
PNG
(CHEMBL4072011 | US10266550, Compound 11e)
Show SMILES Nc1ccc2c(c1)oc1c(NCCN3CCOCC3)c(F)cc3c1n2cc(C(O)=O)c3=O
Show InChI InChI=1S/C22H21FN4O5/c23-15-10-13-19-21(18(15)25-3-4-26-5-7-31-8-6-26)32-17-9-12(24)1-2-16(17)27(19)11-14(20(13)28)22(29)30/h1-2,9-11,25H,3-8,24H2,(H,29,30)
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US Patent
n/an/a 240n/an/an/an/an/an/a



THE FLORIDA INTERNATIONAL UNIVERSITY BOARD OF TRUSTEES

US Patent


Assay Description
The relaxation activity of E. coli topoisomerase I was assayed in a buffer containing 10 mM Tris-HCl, pH 8.0, 50 mM NaCl, 0.1 mg/mL gelatin, and 0.5 ...


US Patent US10266550 (2019)

More data for this
Ligand-Target Pair
DNA topoisomerase 1


(Escherichia coli (strain K12))
BDBM50259215
PNG
(CHEMBL4064887 | US10266550, Compound 11b)
Show SMILES Nc1ccc2c(c1)oc1c(N3CCNCC3)c(F)cc3c1n2cc(C(O)=O)c3=O
Show InChI InChI=1S/C20H17FN4O4/c21-13-8-11-16-19(17(13)24-5-3-23-4-6-24)29-15-7-10(22)1-2-14(15)25(16)9-12(18(11)26)20(27)28/h1-2,7-9,23H,3-6,22H2,(H,27,28)
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n/an/a 240n/an/an/an/an/an/a



THE FLORIDA INTERNATIONAL UNIVERSITY BOARD OF TRUSTEES

US Patent


Assay Description
The relaxation activity of E. coli topoisomerase I was assayed in a buffer containing 10 mM Tris-HCl, pH 8.0, 50 mM NaCl, 0.1 mg/mL gelatin, and 0.5 ...


US Patent US10266550 (2019)

More data for this
Ligand-Target Pair
DNA topoisomerase 1


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM50259247
PNG
(CHEMBL4065223 | US10266550, Compound 11g)
Show SMILES Nc1ccc2c(c1)oc1c(N3CCC(CC3)N3CCCCC3)c(F)cc3c1n2cc(C(O)=O)c3=O
Show InChI InChI=1S/C26H27FN4O4/c27-19-13-17-22-25(23(19)30-10-6-16(7-11-30)29-8-2-1-3-9-29)35-21-12-15(28)4-5-20(21)31(22)14-18(24(17)32)26(33)34/h4-5,12-14,16H,1-3,6-11,28H2,(H,33,34)
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n/an/a 240n/an/an/an/an/an/a



THE FLORIDA INTERNATIONAL UNIVERSITY BOARD OF TRUSTEES

US Patent


Assay Description
The relaxation activity of E. coli topoisomerase I was assayed in a buffer containing 10 mM Tris-HCl, pH 8.0, 50 mM NaCl, 0.1 mg/mL gelatin, and 0.5 ...


US Patent US10266550 (2019)

More data for this
Ligand-Target Pair
DNA topoisomerase 1


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM50259221
PNG
(CHEMBL4097472 | US10266550, Compound 11d)
Show SMILES Nc1ccc2c(c1)oc1c(N3CCOCC3)c(F)cc3c1n2cc(C(O)=O)c3=O
Show InChI InChI=1S/C20H16FN3O5/c21-13-8-11-16-19(17(13)23-3-5-28-6-4-23)29-15-7-10(22)1-2-14(15)24(16)9-12(18(11)25)20(26)27/h1-2,7-9H,3-6,22H2,(H,26,27)
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n/an/a 480n/an/an/an/an/an/a



THE FLORIDA INTERNATIONAL UNIVERSITY BOARD OF TRUSTEES

US Patent


Assay Description
The relaxation activity of E. coli topoisomerase I was assayed in a buffer containing 10 mM Tris-HCl, pH 8.0, 50 mM NaCl, 0.1 mg/mL gelatin, and 0.5 ...


US Patent US10266550 (2019)

More data for this
Ligand-Target Pair
DNA topoisomerase 1


(Escherichia coli (strain K12))
BDBM50259244
PNG
(CHEMBL4076393 | US10266550, Compound 16)
Show SMILES N[C@H]1CCN(C1)c1c(F)cc2c3c1oc1cc(ccc1n3cc(C(O)=O)c2=O)[N+]([O-])=O
Show InChI InChI=1S/C20H15FN4O6/c21-13-6-11-16-19(17(13)23-4-3-9(22)7-23)31-15-5-10(25(29)30)1-2-14(15)24(16)8-12(18(11)26)20(27)28/h1-2,5-6,8-9H,3-4,7,22H2,(H,27,28)/t9-/m0/s1
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n/an/a 480n/an/an/an/an/an/a



THE FLORIDA INTERNATIONAL UNIVERSITY BOARD OF TRUSTEES

US Patent


Assay Description
The relaxation activity of E. coli topoisomerase I was assayed in a buffer containing 10 mM Tris-HCl, pH 8.0, 50 mM NaCl, 0.1 mg/mL gelatin, and 0.5 ...


US Patent US10266550 (2019)

More data for this
Ligand-Target Pair
DNA topoisomerase 1


(Escherichia coli (strain K12))
BDBM50259214
PNG
(CHEMBL4061346 | US10266550, Compound 11a)
Show SMILES CN1CCN(CC1)c1c(F)cc2c3c1oc1cc(N)ccc1n3cc(C(O)=O)c2=O
Show InChI InChI=1S/C21H19FN4O4/c1-24-4-6-25(7-5-24)18-14(22)9-12-17-20(18)30-16-8-11(23)2-3-15(16)26(17)10-13(19(12)27)21(28)29/h2-3,8-10H,4-7,23H2,1H3,(H,28,29)
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n/an/a 480n/an/an/an/an/an/a



THE FLORIDA INTERNATIONAL UNIVERSITY BOARD OF TRUSTEES

US Patent


Assay Description
The relaxation activity of E. coli topoisomerase I was assayed in a buffer containing 10 mM Tris-HCl, pH 8.0, 50 mM NaCl, 0.1 mg/mL gelatin, and 0.5 ...


US Patent US10266550 (2019)

More data for this
Ligand-Target Pair
DNA topoisomerase 1


(Escherichia coli (strain K12))
BDBM50259247
PNG
(CHEMBL4065223 | US10266550, Compound 11g)
Show SMILES Nc1ccc2c(c1)oc1c(N3CCC(CC3)N3CCCCC3)c(F)cc3c1n2cc(C(O)=O)c3=O
Show InChI InChI=1S/C26H27FN4O4/c27-19-13-17-22-25(23(19)30-10-6-16(7-11-30)29-8-2-1-3-9-29)35-21-12-15(28)4-5-20(21)31(22)14-18(24(17)32)26(33)34/h4-5,12-14,16H,1-3,6-11,28H2,(H,33,34)
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n/an/a 480n/an/an/an/an/an/a



THE FLORIDA INTERNATIONAL UNIVERSITY BOARD OF TRUSTEES

US Patent


Assay Description
The relaxation activity of E. coli topoisomerase I was assayed in a buffer containing 10 mM Tris-HCl, pH 8.0, 50 mM NaCl, 0.1 mg/mL gelatin, and 0.5 ...


US Patent US10266550 (2019)

More data for this
Ligand-Target Pair
DNA topoisomerase 1


(Rattus norvegicus)
BDBM7459
PNG
(2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4...)
Show SMILES Oc1cc(O)c2c(c1)oc(cc2=O)-c1ccc(O)c(O)c1
Show InChI InChI=1S/C15H10O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-6,16-19H
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KEGG

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Article
PubMed
n/an/a 660n/an/an/an/an/an/a



Stephen F. Austin State University

Curated by ChEMBL


Assay Description
Inhibition of rat liver DNA topoisomerase 1 preincubated before addition of DNA


Bioorg Med Chem Lett 20: 2790-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.063
BindingDB Entry DOI: 10.7270/Q2J67HW5
More data for this
Ligand-Target Pair
DNA topoisomerase 1


(Escherichia coli (strain K12))
BDBM50259245
PNG
(CHEMBL4064127 | US10266550, Compound 17a)
Show SMILES N[C@H]1CCN(C1)c1c(F)cc2c3c1oc1cc(N)ccc1n3cc(C(O)=O)c2=O
Show InChI InChI=1S/C20H17FN4O4/c21-13-6-11-16-19(17(13)24-4-3-10(23)7-24)29-15-5-9(22)1-2-14(15)25(16)8-12(18(11)26)20(27)28/h1-2,5-6,8,10H,3-4,7,22-23H2,(H,27,28)/t10-/m0/s1
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n/an/a 725n/an/an/an/an/an/a



THE FLORIDA INTERNATIONAL UNIVERSITY BOARD OF TRUSTEES

US Patent


Assay Description
The relaxation activity of E. coli topoisomerase I was assayed in a buffer containing 10 mM Tris-HCl, pH 8.0, 50 mM NaCl, 0.1 mg/mL gelatin, and 0.5 ...


US Patent US10266550 (2019)

More data for this
Ligand-Target Pair
DNA topoisomerase 1


(Escherichia coli (strain K12))
BDBM50259248
PNG
(CHEMBL4104625 | US10266550, Compound 17bbSelectivi...)
Show SMILES N[C@@H]1CCN(C1)c1c(F)cc2c3c1oc1cc(N)ccc1n3cc(C(O)=O)c2=O
Show InChI InChI=1S/C20H17FN4O4/c21-13-6-11-16-19(17(13)24-4-3-10(23)7-24)29-15-5-9(22)1-2-14(15)25(16)8-12(18(11)26)20(27)28/h1-2,5-6,8,10H,3-4,7,22-23H2,(H,27,28)/t10-/m1/s1
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n/an/a 725n/an/an/an/an/an/a



THE FLORIDA INTERNATIONAL UNIVERSITY BOARD OF TRUSTEES

US Patent


Assay Description
The relaxation activity of E. coli topoisomerase I was assayed in a buffer containing 10 mM Tris-HCl, pH 8.0, 50 mM NaCl, 0.1 mg/mL gelatin, and 0.5 ...


US Patent US10266550 (2019)

More data for this
Ligand-Target Pair
DNA topoisomerase 1


(Escherichia coli (strain K12))
BDBM50259221
PNG
(CHEMBL4097472 | US10266550, Compound 11d)
Show SMILES Nc1ccc2c(c1)oc1c(N3CCOCC3)c(F)cc3c1n2cc(C(O)=O)c3=O
Show InChI InChI=1S/C20H16FN3O5/c21-13-8-11-16-19(17(13)23-3-5-28-6-4-23)29-15-7-10(22)1-2-14(15)24(16)9-12(18(11)25)20(26)27/h1-2,7-9H,3-6,22H2,(H,26,27)
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n/an/a 970n/an/an/an/an/an/a



THE FLORIDA INTERNATIONAL UNIVERSITY BOARD OF TRUSTEES

US Patent


Assay Description
The relaxation activity of E. coli topoisomerase I was assayed in a buffer containing 10 mM Tris-HCl, pH 8.0, 50 mM NaCl, 0.1 mg/mL gelatin, and 0.5 ...


US Patent US10266550 (2019)

More data for this
Ligand-Target Pair
DNA topoisomerase 1


(Escherichia coli (strain K12))
BDBM50259242
PNG
(CHEMBL4072011 | US10266550, Compound 11e)
Show SMILES Nc1ccc2c(c1)oc1c(NCCN3CCOCC3)c(F)cc3c1n2cc(C(O)=O)c3=O
Show InChI InChI=1S/C22H21FN4O5/c23-15-10-13-19-21(18(15)25-3-4-26-5-7-31-8-6-26)32-17-9-12(24)1-2-16(17)27(19)11-14(20(13)28)22(29)30/h1-2,9-11,25H,3-8,24H2,(H,29,30)
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n/an/a 970n/an/an/an/an/an/a



THE FLORIDA INTERNATIONAL UNIVERSITY BOARD OF TRUSTEES

US Patent


Assay Description
The relaxation activity of E. coli topoisomerase I was assayed in a buffer containing 10 mM Tris-HCl, pH 8.0, 50 mM NaCl, 0.1 mg/mL gelatin, and 0.5 ...


US Patent US10266550 (2019)

More data for this
Ligand-Target Pair
DNA topoisomerase 1


(Escherichia coli (strain K12))
BDBM50259246
PNG
(CHEMBL4066307 | US10266550, Compound 10a)
Show SMILES CN1CCN(CC1)c1c(F)cc2c3c1oc1cc(ccc1n3cc(C(O)=O)c2=O)[N+]([O-])=O
Show InChI InChI=1S/C21H17FN4O6/c1-23-4-6-24(7-5-23)18-14(22)9-12-17-20(18)32-16-8-11(26(30)31)2-3-15(16)25(17)10-13(19(12)27)21(28)29/h2-3,8-10H,4-7H2,1H3,(H,28,29)
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n/an/a 1.95E+3n/an/an/an/an/an/a



THE FLORIDA INTERNATIONAL UNIVERSITY BOARD OF TRUSTEES

US Patent


Assay Description
The relaxation activity of E. coli topoisomerase I was assayed in a buffer containing 10 mM Tris-HCl, pH 8.0, 50 mM NaCl, 0.1 mg/mL gelatin, and 0.5 ...


US Patent US10266550 (2019)

More data for this
Ligand-Target Pair
DNA topoisomerase 1


(Escherichia coli (strain K12))
BDBM50259212
PNG
(CHEMBL2002459 | US10266550, Compound 1)
Show SMILES Nc1ccc2c(c1)oc1c(F)c(F)cc3c1n2cc(C(O)=O)c3=O
Show InChI InChI=1S/C16H8F2N2O4/c17-9-4-7-13-15(12(9)18)24-11-3-6(19)1-2-10(11)20(13)5-8(14(7)21)16(22)23/h1-5H,19H2,(H,22,23)
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n/an/a 1.95E+3n/an/an/an/an/an/a



THE FLORIDA INTERNATIONAL UNIVERSITY BOARD OF TRUSTEES

US Patent


Assay Description
The relaxation activity of E. coli topoisomerase I was assayed in a buffer containing 10 mM Tris-HCl, pH 8.0, 50 mM NaCl, 0.1 mg/mL gelatin, and 0.5 ...


US Patent US10266550 (2019)

More data for this
Ligand-Target Pair
DNA topoisomerase 1


(Escherichia coli (strain K12))
BDBM50259246
PNG
(CHEMBL4066307 | US10266550, Compound 10a)
Show SMILES CN1CCN(CC1)c1c(F)cc2c3c1oc1cc(ccc1n3cc(C(O)=O)c2=O)[N+]([O-])=O
Show InChI InChI=1S/C21H17FN4O6/c1-23-4-6-24(7-5-23)18-14(22)9-12-17-20(18)32-16-8-11(26(30)31)2-3-15(16)25(17)10-13(19(12)27)21(28)29/h2-3,8-10H,4-7H2,1H3,(H,28,29)
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n/an/a 1.95E+3n/an/an/an/an/an/a



THE FLORIDA INTERNATIONAL UNIVERSITY BOARD OF TRUSTEES

US Patent


Assay Description
The relaxation activity of E. coli topoisomerase I was assayed in a buffer containing 10 mM Tris-HCl, pH 8.0, 50 mM NaCl, 0.1 mg/mL gelatin, and 0.5 ...


US Patent US10266550 (2019)

More data for this
Ligand-Target Pair
DNA topoisomerase 1


(Escherichia coli (strain K12))
BDBM379478
PNG
(US10266550, Compound 15a)
Show SMILES CC(C)(C)OC(=O)NC1CCN(C1)c1c(F)cc2c3c1oc1cc(N)ccc1n3cc(C(O)=O)c2=O
Show InChI InChI=1S/C25H25FN4O6/c1-25(2,3)36-24(34)28-13-6-7-29(10-13)20-16(26)9-14-19-22(20)35-18-8-12(27)4-5-17(18)30(19)11-15(21(14)31)23(32)33/h4-5,8-9,11,13H,6-7,10,27H2,1-3H3,(H,28,34)(H,32,33)
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n/an/a 3.90E+3n/an/an/an/an/an/a



THE FLORIDA INTERNATIONAL UNIVERSITY BOARD OF TRUSTEES

US Patent


Assay Description
The relaxation activity of E. coli topoisomerase I was assayed in a buffer containing 10 mM Tris-HCl, pH 8.0, 50 mM NaCl, 0.1 mg/mL gelatin, and 0.5 ...


US Patent US10266550 (2019)

More data for this
Ligand-Target Pair
DNA topoisomerase 1


(Escherichia coli (strain K12))
BDBM379474
PNG
(US10266550, Compound 11i)
Show SMILES Nc1ccc2c(c1)oc1c(NC3CCCCC3)c(F)cc3c1n2cc(C(O)=O)c3=O
Show InChI InChI=1S/C22H20FN3O4/c23-15-9-13-19-21(18(15)25-12-4-2-1-3-5-12)30-17-8-11(24)6-7-16(17)26(19)10-14(20(13)27)22(28)29/h6-10,12,25H,1-5,24H2,(H,28,29)
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n/an/a 3.90E+3n/an/an/an/an/an/a



THE FLORIDA INTERNATIONAL UNIVERSITY BOARD OF TRUSTEES

US Patent


Assay Description
The relaxation activity of E. coli topoisomerase I was assayed in a buffer containing 10 mM Tris-HCl, pH 8.0, 50 mM NaCl, 0.1 mg/mL gelatin, and 0.5 ...


US Patent US10266550 (2019)

More data for this
Ligand-Target Pair
DNA topoisomerase 1


(Escherichia coli (strain K12))
BDBM50259242
PNG
(CHEMBL4072011 | US10266550, Compound 11e)
Show SMILES Nc1ccc2c(c1)oc1c(NCCN3CCOCC3)c(F)cc3c1n2cc(C(O)=O)c3=O
Show InChI InChI=1S/C22H21FN4O5/c23-15-10-13-19-21(18(15)25-3-4-26-5-7-31-8-6-26)32-17-9-12(24)1-2-16(17)27(19)11-14(20(13)28)22(29)30/h1-2,9-11,25H,3-8,24H2,(H,29,30)
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n/an/a 3.90E+3n/an/an/an/an/an/a



THE FLORIDA INTERNATIONAL UNIVERSITY BOARD OF TRUSTEES

US Patent


Assay Description
The relaxation activity of E. coli topoisomerase I was assayed in a buffer containing 10 mM Tris-HCl, pH 8.0, 50 mM NaCl, 0.1 mg/mL gelatin, and 0.5 ...


US Patent US10266550 (2019)

More data for this
Ligand-Target Pair
DNA topoisomerase 1


(Escherichia coli (strain K12))
BDBM379465
PNG
(US10266550, Compound 10b)
Show SMILES OC(=O)c1cn2c3ccc(cc3oc3c(N4CCNCC4)c(F)cc(c23)c1=O)[N+]([O-])=O
Show InChI InChI=1S/C20H15FN4O6/c21-13-8-11-16-19(17(13)23-5-3-22-4-6-23)31-15-7-10(25(29)30)1-2-14(15)24(16)9-12(18(11)26)20(27)28/h1-2,7-9,22H,3-6H2,(H,27,28)
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n/an/a 3.90E+3n/an/an/an/an/an/a



THE FLORIDA INTERNATIONAL UNIVERSITY BOARD OF TRUSTEES

US Patent


Assay Description
The relaxation activity of E. coli topoisomerase I was assayed in a buffer containing 10 mM Tris-HCl, pH 8.0, 50 mM NaCl, 0.1 mg/mL gelatin, and 0.5 ...


US Patent US10266550 (2019)

More data for this
Ligand-Target Pair
DNA topoisomerase 1


(Escherichia coli (strain K12))
BDBM379475
PNG
(US10266550, Compound 11j)
Show SMILES Nc1ccc2c(c1)oc1c(NC3CCCC3)c(F)cc3c1n2cc(C(O)=O)c3=O
Show InChI InChI=1S/C21H18FN3O4/c22-14-8-12-18-20(17(14)24-11-3-1-2-4-11)29-16-7-10(23)5-6-15(16)25(18)9-13(19(12)26)21(27)28/h5-9,11,24H,1-4,23H2,(H,27,28)
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n/an/a 3.90E+3n/an/an/an/an/an/a



THE FLORIDA INTERNATIONAL UNIVERSITY BOARD OF TRUSTEES

US Patent


Assay Description
The relaxation activity of E. coli topoisomerase I was assayed in a buffer containing 10 mM Tris-HCl, pH 8.0, 50 mM NaCl, 0.1 mg/mL gelatin, and 0.5 ...


US Patent US10266550 (2019)

More data for this
Ligand-Target Pair
DNA topoisomerase 1


(Escherichia coli (strain K12))
BDBM379468
PNG
(US10266550, Compound 11c)
Show SMILES Nc1ccc2c(c1)oc1c(N3CCCCC3)c(F)cc3c1n2cc(C(O)=O)c3=O
Show InChI InChI=1S/C21H18FN3O4/c22-14-9-12-17-20(18(14)24-6-2-1-3-7-24)29-16-8-11(23)4-5-15(16)25(17)10-13(19(12)26)21(27)28/h4-5,8-10H,1-3,6-7,23H2,(H,27,28)
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n/an/a 3.90E+3n/an/an/an/an/an/a



THE FLORIDA INTERNATIONAL UNIVERSITY BOARD OF TRUSTEES

US Patent


Assay Description
The relaxation activity of E. coli topoisomerase I was assayed in a buffer containing 10 mM Tris-HCl, pH 8.0, 50 mM NaCl, 0.1 mg/mL gelatin, and 0.5 ...


US Patent US10266550 (2019)

More data for this
Ligand-Target Pair
DNA topoisomerase 1


(Saccharomyces cerevisiae S288c)
BDBM50090044
PNG
((Z)-2',3'-dihydroxy-3,4,4',5-tetramethoxystilbene ...)
Show SMILES COc1ccc(\C=C/c2cc(OC)c(OC)c(OC)c2)c(O)c1O
Show InChI InChI=1S/C18H20O6/c1-21-13-8-7-12(16(19)17(13)20)6-5-11-9-14(22-2)18(24-4)15(10-11)23-3/h5-10,19-20H,1-4H3/b6-5-
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n/an/a 4.81E+3n/an/an/an/an/an/a



Virginia Polytechnic Institute and State University

Curated by ChEMBL


Assay Description
Inhibition of topoisomerase 1 in Saccharomyces cerevisiae RS321N in galactose medium by microtiter plate assay


J Nat Prod 63: 457-60 (2000)

More data for this
Ligand-Target Pair
DNA topoisomerase 1


(Rattus norvegicus)
BDBM7459
PNG
(2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4...)
Show SMILES Oc1cc(O)c2c(c1)oc(cc2=O)-c1ccc(O)c(O)c1
Show InChI InChI=1S/C15H10O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-6,16-19H
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n/an/a 5.00E+3n/an/an/an/an/an/a



Stephen F. Austin State University

Curated by ChEMBL


Assay Description
Inhibition of rat liver DNA topoisomerase 1 treated simultaneously with DNA


Bioorg Med Chem Lett 20: 2790-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.063
BindingDB Entry DOI: 10.7270/Q2J67HW5
More data for this
Ligand-Target Pair
DNA topoisomerase 1


(Saccharomyces cerevisiae S288c)
BDBM50090044
PNG
((Z)-2',3'-dihydroxy-3,4,4',5-tetramethoxystilbene ...)
Show SMILES COc1ccc(\C=C/c2cc(OC)c(OC)c(OC)c2)c(O)c1O
Show InChI InChI=1S/C18H20O6/c1-21-13-8-7-12(16(19)17(13)20)6-5-11-9-14(22-2)18(24-4)15(10-11)23-3/h5-10,19-20H,1-4H3/b6-5-
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n/an/a 5.71E+3n/an/an/an/an/an/a



Virginia Polytechnic Institute and State University

Curated by ChEMBL


Assay Description
Inhibition of topoisomerase 1 in Saccharomyces cerevisiae RS321N in glucose medium by microtiter plate assay


J Nat Prod 63: 457-60 (2000)

More data for this
Ligand-Target Pair
DNA topoisomerase 1


(Escherichia coli (strain K12))
BDBM379471
PNG
(US10266550, Compound 11f)
Show SMILES Nc1ccc2c(c1)oc1c(NC34CC5CC(CC(C5)C3)C4)c(F)cc3c1n2cc(C(O)=O)c3=O
Show InChI InChI=1S/C26H24FN3O4/c27-18-7-16-22-24(21(18)29-26-8-12-3-13(9-26)5-14(4-12)10-26)34-20-6-15(28)1-2-19(20)30(22)11-17(23(16)31)25(32)33/h1-2,6-7,11-14,29H,3-5,8-10,28H2,(H,32,33)
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n/an/a 5.85E+3n/an/an/an/an/an/a



THE FLORIDA INTERNATIONAL UNIVERSITY BOARD OF TRUSTEES

US Patent


Assay Description
The relaxation activity of E. coli topoisomerase I was assayed in a buffer containing 10 mM Tris-HCl, pH 8.0, 50 mM NaCl, 0.1 mg/mL gelatin, and 0.5 ...


US Patent US10266550 (2019)

More data for this
Ligand-Target Pair
DNA topoisomerase 1


(Escherichia coli (strain K12))
BDBM379477
PNG
(US10266550, Compound 12)
Show SMILES CC(=O)Nc1ccc2c(c1)oc1c(F)c(F)cc3c1n2cc(C(O)=O)c3=O
Show InChI InChI=1S/C18H10F2N2O5/c1-7(23)21-8-2-3-12-13(4-8)27-17-14(20)11(19)5-9-15(17)22(12)6-10(16(9)24)18(25)26/h2-6H,1H3,(H,21,23)(H,25,26)
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n/an/a 7.80E+3n/an/an/an/an/an/a



THE FLORIDA INTERNATIONAL UNIVERSITY BOARD OF TRUSTEES

US Patent


Assay Description
The relaxation activity of E. coli topoisomerase I was assayed in a buffer containing 10 mM Tris-HCl, pH 8.0, 50 mM NaCl, 0.1 mg/mL gelatin, and 0.5 ...


US Patent US10266550 (2019)

More data for this
Ligand-Target Pair
DNA topoisomerase 1


(Yersinia pestis)
BDBM50496611
PNG
(CHEMBL3134416)
Show SMILES CCCCCc1cc(O)cc(O)c1C(=O)Oc1cc(O)c(C(O)=O)c(CCCCC)c1
Show InChI InChI=1S/C24H30O7/c1-3-5-7-9-15-11-17(25)13-19(26)22(15)24(30)31-18-12-16(10-8-6-4-2)21(23(28)29)20(27)14-18/h11-14,25-27H,3-10H2,1-2H3,(H,28,29)
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n/an/a 1.40E+4n/an/an/an/an/an/a



University of Hawai'i at Hilo

Curated by ChEMBL


Assay Description
Inhibition of Yersinia pestis topoisomerase 1-mediated relaxation of supercoiled plasmid DNA by agarose gel electrophoresis


Medchemcomm 4: (2013)

More data for this
Ligand-Target Pair
DNA topoisomerase 1


(Escherichia coli (strain K12))
BDBM379458
PNG
(5, 6-Difluoro-9-nitro-3-oxo-3H-pyrido[3, 2,1-kl]ph...)
Show SMILES OC(=O)c1cn2c3ccc(cc3oc3c(F)c(F)cc(c23)c1=O)[N+]([O-])=O
Show InChI InChI=1S/C16H6F2N2O6/c17-9-4-7-13-15(12(9)18)26-11-3-6(20(24)25)1-2-10(11)19(13)5-8(14(7)21)16(22)23/h1-5H,(H,22,23)
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n/an/a 1.56E+4n/an/an/an/an/an/a



THE FLORIDA INTERNATIONAL UNIVERSITY BOARD OF TRUSTEES

US Patent


Assay Description
The relaxation activity of E. coli topoisomerase I was assayed in a buffer containing 10 mM Tris-HCl, pH 8.0, 50 mM NaCl, 0.1 mg/mL gelatin, and 0.5 ...


US Patent US10266550 (2019)

More data for this
Ligand-Target Pair
DNA topoisomerase 1


(Escherichia coli (strain K12))
BDBM379461
PNG
(US10266550, Compound 7d)
Show SMILES CC(=O)c1ccc2c(c1)oc1c(F)c(F)cc3c1n2cc(C(O)=O)c3=O
Show InChI InChI=1S/C18H9F2NO5/c1-7(22)8-2-3-12-13(4-8)26-17-14(20)11(19)5-9-15(17)21(12)6-10(16(9)23)18(24)25/h2-6H,1H3,(H,24,25)
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n/an/a 1.56E+4n/an/an/an/an/an/a



THE FLORIDA INTERNATIONAL UNIVERSITY BOARD OF TRUSTEES

US Patent


Assay Description
The relaxation activity of E. coli topoisomerase I was assayed in a buffer containing 10 mM Tris-HCl, pH 8.0, 50 mM NaCl, 0.1 mg/mL gelatin, and 0.5 ...


US Patent US10266550 (2019)

More data for this
Ligand-Target Pair
DNA topoisomerase 1


(Escherichia coli (strain K12))
BDBM379476
PNG
(US10266550, Compound 11k)
Show SMILES CCCCCNc1c(F)cc2c3c1oc1cc(N)ccc1n3cc(C(O)=O)c2=O
Show InChI InChI=1S/C21H20FN3O4/c1-2-3-4-7-24-17-14(22)9-12-18-20(17)29-16-8-11(23)5-6-15(16)25(18)10-13(19(12)26)21(27)28/h5-6,8-10,24H,2-4,7,23H2,1H3,(H,27,28)
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n/an/a 1.56E+4n/an/an/an/an/an/a



THE FLORIDA INTERNATIONAL UNIVERSITY BOARD OF TRUSTEES

US Patent


Assay Description
The relaxation activity of E. coli topoisomerase I was assayed in a buffer containing 10 mM Tris-HCl, pH 8.0, 50 mM NaCl, 0.1 mg/mL gelatin, and 0.5 ...


US Patent US10266550 (2019)

More data for this
Ligand-Target Pair
DNA topoisomerase 1


(Escherichia coli (strain K12))
BDBM379123
PNG
(Ethyl 5,6-difluoro-9-nitro-3-oxo-3H-pyrido[3,2,1-k...)
Show SMILES CCOC(=O)c1cn2c3ccc(cc3oc3c(F)c(F)cc(c23)c1=O)[N+]([O-])=O
Show InChI InChI=1S/C18H10F2N2O6/c1-2-27-18(24)10-7-21-12-4-3-8(22(25)26)5-13(12)28-17-14(20)11(19)6-9(15(17)21)16(10)23/h3-7H,2H2,1H3
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n/an/a 1.56E+4n/an/an/an/an/an/a



THE FLORIDA INTERNATIONAL UNIVERSITY BOARD OF TRUSTEES

US Patent


Assay Description
The relaxation activity of E. coli topoisomerase I was assayed in a buffer containing 10 mM Tris-HCl, pH 8.0, 50 mM NaCl, 0.1 mg/mL gelatin, and 0.5 ...


US Patent US10266550 (2019)

More data for this
Ligand-Target Pair
DNA topoisomerase 1


(Cercopithecus aethiops)
BDBM50242374
PNG
(CHEMBL505529 | topostatin)
Show SMILES CCCCCCCC(C)CC=C(C)C=CC(=O)C(C)CCC1OC(=O)[C@H](CC(OS(O)(=O)=O)C(N)=O)NC(=O)[C@@H](C)CNC(=O)C(=C)NC(=O)C1C
Show InChI InChI=1S/C36H58N4O11S/c1-8-9-10-11-12-13-22(2)14-15-23(3)16-18-29(41)24(4)17-19-30-26(6)34(44)39-27(7)35(45)38-21-25(5)33(43)40-28(36(46)50-30)20-31(32(37)42)51-52(47,48)49/h15-16,18,22,24-26,28,30-31H,7-14,17,19-21H2,1-6H3,(H2,37,42)(H,38,45)(H,39,44)(H,40,43)(H,47,48,49)/t22?,24?,25-,26?,28-,30?,31?/m0/s1
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n/an/a 1.70E+4n/an/an/an/an/an/a



Kumamoto University

Curated by ChEMBL


Assay Description
Inhibition topoisomerase 1 in african green monkey Vero cells assessed as conversion of supercoiled pBR322 DNA to relaxed form


J Nat Prod 64: 204-7 (2001)


Article DOI: 10.1021/np0004606
BindingDB Entry DOI: 10.7270/Q2W37W21
More data for this
Ligand-Target Pair
DNA topoisomerase 1


(Yersinia pestis)
BDBM50496611
PNG
(CHEMBL3134416)
Show SMILES CCCCCc1cc(O)cc(O)c1C(=O)Oc1cc(O)c(C(O)=O)c(CCCCC)c1
Show InChI InChI=1S/C24H30O7/c1-3-5-7-9-15-11-17(25)13-19(26)22(15)24(30)31-18-12-16(10-8-6-4-2)21(23(28)29)20(27)14-18/h11-14,25-27H,3-10H2,1-2H3,(H,28,29)
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n/an/a 1.77E+4n/an/an/an/an/an/a



University of Hawai'i at Hilo

Curated by ChEMBL


Assay Description
Inhibition of Yersinia pestis topoisomerase 1-mediated relaxation of supercoiled plasmid DNA by agarose gel electrophoresis


Medchemcomm 4: (2013)

More data for this
Ligand-Target Pair
DNA topoisomerase 1


(Saccharomyces cerevisiae S288c)
BDBM50005480
PNG
((-)-combretastatin | (Z)-3'-hydroxy-3,4,4',5-tetra...)
Show SMILES COc1ccc(\C=C/c2cc(OC)c(OC)c(OC)c2)cc1O
Show InChI InChI=1S/C18H20O5/c1-20-15-8-7-12(9-14(15)19)5-6-13-10-16(21-2)18(23-4)17(11-13)22-3/h5-11,19H,1-4H3/b6-5-
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n/an/a 2.08E+4n/an/an/an/an/an/a



Virginia Polytechnic Institute and State University

Curated by ChEMBL


Assay Description
Inhibition of topoisomerase 1 in Saccharomyces cerevisiae RS321N in galactose medium by microtiter plate assay


J Nat Prod 63: 457-60 (2000)

More data for this
Ligand-Target Pair
DNA topoisomerase 1


(Saccharomyces cerevisiae S288c)
BDBM50005480
PNG
((-)-combretastatin | (Z)-3'-hydroxy-3,4,4',5-tetra...)
Show SMILES COc1ccc(\C=C/c2cc(OC)c(OC)c(OC)c2)cc1O
Show InChI InChI=1S/C18H20O5/c1-20-15-8-7-12(9-14(15)19)5-6-13-10-16(21-2)18(23-4)17(11-13)22-3/h5-11,19H,1-4H3/b6-5-
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n/an/a 2.33E+4n/an/an/an/an/an/a



Virginia Polytechnic Institute and State University

Curated by ChEMBL


Assay Description
Inhibition of topoisomerase 1 in Saccharomyces cerevisiae RS321N in glucose medium by microtiter plate assay


J Nat Prod 63: 457-60 (2000)

More data for this
Ligand-Target Pair
DNA topoisomerase 1


(Cercopithecus aethiops)
BDBM50008923
PNG
((S)-4-ethyl-4-hydroxy-1,12-dihydro-4H-2-oxa-6,12a-...)
Show SMILES CC[C@@]1(O)C(=O)OCc2c1cc1-c3nc4ccccc4cc3Cn1c2=O
Show InChI InChI=1S/C20H16N2O4/c1-2-20(25)14-8-16-17-12(7-11-5-3-4-6-15(11)21-17)9-22(16)18(23)13(14)10-26-19(20)24/h3-8,25H,2,9-10H2,1H3/t20-/m0/s1
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n/an/a 2.70E+4n/an/an/an/an/an/a



Kumamoto University

Curated by ChEMBL


Assay Description
Inhibition topoisomerase 1 in african green monkey Vero cells assessed as conversion of supercoiled pBR322 DNA to relaxed form


J Nat Prod 64: 204-7 (2001)


Article DOI: 10.1021/np0004606
BindingDB Entry DOI: 10.7270/Q2W37W21
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
DNA topoisomerase 1


(Escherichia coli (strain K12))
BDBM379133
PNG
(Ethyl 9-cyano-5, 6-difluoro-3-oxo-3H-pyrido[3, 2, ...)
Show SMILES CCOC(=O)c1cn2c3ccc(cc3oc3c(F)c(F)cc(c23)c1=O)C#N
Show InChI InChI=1S/C19H10F2N2O4/c1-2-26-19(25)11-8-23-13-4-3-9(7-22)5-14(13)27-18-15(21)12(20)6-10(16(18)23)17(11)24/h3-6,8H,2H2,1H3
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n/an/a 3.13E+4n/an/an/an/an/an/a



THE FLORIDA INTERNATIONAL UNIVERSITY BOARD OF TRUSTEES

US Patent


Assay Description
The relaxation activity of E. coli topoisomerase I was assayed in a buffer containing 10 mM Tris-HCl, pH 8.0, 50 mM NaCl, 0.1 mg/mL gelatin, and 0.5 ...


US Patent US10266550 (2019)

More data for this
Ligand-Target Pair
DNA topoisomerase 1


(Escherichia coli (strain K12))
BDBM379459
PNG
(9-Cyano-5, 6-d fluoro-3-oxo-3H-pyrido[3, 2, 1-d]ph...)
Show SMILES OC(=O)c1cn2c3ccc(cc3oc3c(F)c(F)cc(c23)c1=O)C#N
Show InChI InChI=1S/C17H6F2N2O4/c18-10-4-8-14-16(13(10)19)25-12-3-7(5-20)1-2-11(12)21(14)6-9(15(8)22)17(23)24/h1-4,6H,(H,23,24)
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n/an/a 3.13E+4n/an/an/an/an/an/a



THE FLORIDA INTERNATIONAL UNIVERSITY BOARD OF TRUSTEES

US Patent


Assay Description
The relaxation activity of E. coli topoisomerase I was assayed in a buffer containing 10 mM Tris-HCl, pH 8.0, 50 mM NaCl, 0.1 mg/mL gelatin, and 0.5 ...


US Patent US10266550 (2019)

More data for this
Ligand-Target Pair
DNA topoisomerase 1


(Escherichia coli (strain K12))
BDBM50259213
PNG
(CHEMBL4079855 | US10266550, Compound 7e)
Show SMILES OC(=O)c1cn2c3cc(Cl)c(cc3oc3c(F)c(F)cc(c23)c1=O)[N+]([O-])=O
Show InChI InChI=1S/C16H5ClF2N2O6/c17-7-2-10-11(3-9(7)21(25)26)27-15-12(19)8(18)1-5-13(15)20(10)4-6(14(5)22)16(23)24/h1-4H,(H,23,24)
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n/an/a 3.13E+4n/an/an/an/an/an/a



THE FLORIDA INTERNATIONAL UNIVERSITY BOARD OF TRUSTEES

US Patent


Assay Description
The relaxation activity of E. coli topoisomerase I was assayed in a buffer containing 10 mM Tris-HCl, pH 8.0, 50 mM NaCl, 0.1 mg/mL gelatin, and 0.5 ...


US Patent US10266550 (2019)

More data for this
Ligand-Target Pair
DNA topoisomerase 1


(Yersinia pestis)
BDBM50496604
PNG
(CHEMBL3134406)
Show SMILES OC(=O)c1cc(ccc1O)\N=N\c1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C13H9N3O5/c17-12-5-4-9(7-11(12)13(18)19)15-14-8-2-1-3-10(6-8)16(20)21/h1-7,17H,(H,18,19)/b15-14+
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n/an/a 6.25E+4n/an/an/an/an/an/a



University of Hawai'i at Hilo

Curated by ChEMBL


Assay Description
Inhibition of Yersinia pestis topoisomerase 1-mediated relaxation of supercoiled plasmid DNA by agarose gel electrophoresis


Medchemcomm 4: (2013)

More data for this
Ligand-Target Pair
DNA topoisomerase 1


(Escherichia coli (strain K12))
BDBM379134
PNG
(Ethyl 5, 6-difluoro-3-oxo-9-(trifluoromethyl)-3H-p...)
Show SMILES CCOC(=O)c1cn2c3ccc(cc3oc3c(F)c(F)cc(c23)c1=O)C(F)(F)F
Show InChI InChI=1S/C19H10F5NO4/c1-2-28-18(27)10-7-25-12-4-3-8(19(22,23)24)5-13(12)29-17-14(21)11(20)6-9(15(17)25)16(10)26/h3-7H,2H2,1H3
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n/an/a>1.25E+5n/an/an/an/an/an/a



THE FLORIDA INTERNATIONAL UNIVERSITY BOARD OF TRUSTEES

US Patent


Assay Description
The relaxation activity of E. coli topoisomerase I was assayed in a buffer containing 10 mM Tris-HCl, pH 8.0, 50 mM NaCl, 0.1 mg/mL gelatin, and 0.5 ...


US Patent US10266550 (2019)

More data for this
Ligand-Target Pair
DNA topoisomerase 1


(Yersinia pestis)
BDBM50496622
PNG
(CHEBI:34640 | CHEMBL1739417)
Show SMILES Nc1ccc(\N=N\c2ccccc2)c(N)c1
Show InChI InChI=1S/C12H12N4/c13-9-6-7-12(11(14)8-9)16-15-10-4-2-1-3-5-10/h1-8H,13-14H2/b16-15+
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n/an/a 1.25E+5n/an/an/an/an/an/a



University of Hawai'i at Hilo

Curated by ChEMBL


Assay Description
Inhibition of Yersinia pestis topoisomerase 1-mediated relaxation of supercoiled plasmid DNA by agarose gel electrophoresis


Medchemcomm 4: (2013)

More data for this
Ligand-Target Pair
DNA topoisomerase 1


(Escherichia coli (strain K12))
BDBM379460
PNG
(US10266550, Compound 7c)
Show SMILES OC(=O)c1cn2c3ccc(cc3oc3c(F)c(F)cc(c23)c1=O)C(F)(F)F
Show InChI InChI=1S/C17H6F5NO4/c18-9-4-7-13-15(12(9)19)27-11-3-6(17(20,21)22)1-2-10(11)23(13)5-8(14(7)24)16(25)26/h1-5H,(H,25,26)
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n/an/a>1.25E+5n/an/an/an/an/an/a



THE FLORIDA INTERNATIONAL UNIVERSITY BOARD OF TRUSTEES

US Patent


Assay Description
The relaxation activity of E. coli topoisomerase I was assayed in a buffer containing 10 mM Tris-HCl, pH 8.0, 50 mM NaCl, 0.1 mg/mL gelatin, and 0.5 ...


US Patent US10266550 (2019)

More data for this
Ligand-Target Pair
DNA topoisomerase 1


(Saccharomyces cerevisiae S288c)
BDBM50478907
PNG
(CHEMBL497532)
Show SMILES COc1ccc(CCc2cc(OC)c(OC)c(OC)c2)c(O[C@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)c1O
Show InChI InChI=1S/C24H32O11/c1-30-14-8-7-13(6-5-12-9-15(31-2)23(33-4)16(10-12)32-3)22(19(14)27)35-24-21(29)20(28)18(26)17(11-25)34-24/h7-10,17-18,20-21,24-29H,5-6,11H2,1-4H3/t17-,18-,20+,21-,24+/m0/s1
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n/an/a 1.38E+5n/an/an/an/an/an/a



Virginia Polytechnic Institute and State University

Curated by ChEMBL


Assay Description
Inhibition of topoisomerase 1 in Saccharomyces cerevisiae RS321N in galactose medium by microtiter plate assay


J Nat Prod 63: 457-60 (2000)

More data for this
Ligand-Target Pair
DNA topoisomerase 1


(Cercopithecus aethiops)
BDBM22984
PNG
((8S,10S)-10-{[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-me...)
Show SMILES COc1cccc2C(=O)c3c(O)c4C[C@](O)(C[C@H](O[C@H]5C[C@H](N)[C@H](O)[C@H](C)O5)c4c(O)c3C(=O)c12)C(=O)CO
Show InChI InChI=1S/C27H29NO11/c1-10-22(31)13(28)6-17(38-10)39-15-8-27(36,16(30)9-29)7-12-19(15)26(35)21-20(24(12)33)23(32)11-4-3-5-14(37-2)18(11)25(21)34/h3-5,10,13,15,17,22,29,31,33,35-36H,6-9,28H2,1-2H3/t10-,13-,15-,17-,22+,27-/m0/s1
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n/an/a>2.00E+5n/an/an/an/an/an/a



Kumamoto University

Curated by ChEMBL


Assay Description
Inhibition topoisomerase 1 in african green monkey Vero cells assessed as conversion of supercoiled pBR322 DNA to relaxed form


J Nat Prod 64: 204-7 (2001)


Article DOI: 10.1021/np0004606
BindingDB Entry DOI: 10.7270/Q2W37W21
More data for this
Ligand-Target Pair
DNA topoisomerase 1


(Saccharomyces cerevisiae S288c)
BDBM50478907
PNG
(CHEMBL497532)
Show SMILES COc1ccc(CCc2cc(OC)c(OC)c(OC)c2)c(O[C@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)c1O
Show InChI InChI=1S/C24H32O11/c1-30-14-8-7-13(6-5-12-9-15(31-2)23(33-4)16(10-12)32-3)22(19(14)27)35-24-21(29)20(28)18(26)17(11-25)34-24/h7-10,17-18,20-21,24-29H,5-6,11H2,1-4H3/t17-,18-,20+,21-,24+/m0/s1
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n/an/a>2.01E+5n/an/an/an/an/an/a



Virginia Polytechnic Institute and State University

Curated by ChEMBL


Assay Description
Inhibition of topoisomerase 1 in Saccharomyces cerevisiae RS321N in glucose medium by microtiter plate assay


J Nat Prod 63: 457-60 (2000)

More data for this
Ligand-Target Pair
DNA topoisomerase 1


(Yersinia pestis)
BDBM50052414
PNG
(4-(1,1,4,4-tetramethyl-1,2,3,4-tetrahydronaphthale...)
Show SMILES CC1(C)CCC(C)(C)c2cc(ccc12)C(=O)Nc1ccc(cc1)C(O)=O
Show InChI InChI=1S/C22H25NO3/c1-21(2)11-12-22(3,4)18-13-15(7-10-17(18)21)19(24)23-16-8-5-14(6-9-16)20(25)26/h5-10,13H,11-12H2,1-4H3,(H,23,24)(H,25,26)
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n/an/a>2.50E+5n/an/an/an/an/an/a



University of Hawai'i at Hilo

Curated by ChEMBL


Assay Description
Inhibition of Yersinia pestis topoisomerase 1-mediated relaxation of supercoiled plasmid DNA by agarose gel electrophoresis


Medchemcomm 4: (2013)

More data for this
Ligand-Target Pair
DNA topoisomerase 1


(Yersinia pestis)
BDBM50496607
PNG
(CHEMBL3134407)
Show SMILES CCCCCCCCCC(=O)N\N=C\c1ccc(OC(=O)c2cccc(Br)c2)cc1
Show InChI InChI=1S/C24H29BrN2O3/c1-2-3-4-5-6-7-8-12-23(28)27-26-18-19-13-15-22(16-14-19)30-24(29)20-10-9-11-21(25)17-20/h9-11,13-18H,2-8,12H2,1H3,(H,27,28)/b26-18+
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n/an/a>2.50E+5n/an/an/an/an/an/a



University of Hawai'i at Hilo

Curated by ChEMBL


Assay Description
Inhibition of Yersinia pestis topoisomerase 1-mediated relaxation of supercoiled plasmid DNA by agarose gel electrophoresis


Medchemcomm 4: (2013)

More data for this
Ligand-Target Pair
DNA topoisomerase 1


(Yersinia pestis)
BDBM50496606
PNG
(CHEMBL3134409)
Show SMILES Cc1ccc(C)c(\C=C\c2cc(C)ccc2C)c1
Show InChI InChI=1S/C18H20/c1-13-5-7-15(3)17(11-13)9-10-18-12-14(2)6-8-16(18)4/h5-12H,1-4H3/b10-9+
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n/an/a>2.50E+5n/an/an/an/an/an/a



University of Hawai'i at Hilo

Curated by ChEMBL


Assay Description
Inhibition of Yersinia pestis topoisomerase 1-mediated relaxation of supercoiled plasmid DNA by agarose gel electrophoresis


Medchemcomm 4: (2013)

More data for this
Ligand-Target Pair
DNA topoisomerase 1


(Yersinia pestis)
BDBM50496605
PNG
(CHEMBL3134411)
Show SMILES OC(=O)c1ccc(OCc2ccccc2)cc1
Show InChI InChI=1S/C14H12O3/c15-14(16)12-6-8-13(9-7-12)17-10-11-4-2-1-3-5-11/h1-9H,10H2,(H,15,16)
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n/an/a>2.50E+5n/an/an/an/an/an/a



University of Hawai'i at Hilo

Curated by ChEMBL


Assay Description
Inhibition of Yersinia pestis topoisomerase 1-mediated relaxation of supercoiled plasmid DNA by agarose gel electrophoresis


Medchemcomm 4: (2013)

More data for this
Ligand-Target Pair
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