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Patent code US10266550

Compile Data Set for Download or QSAR
Found 64 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/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
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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US Patent
n/an/a 240n/an/an/an/an/an/a



THE FLORIDA INTERNATIONAL UNIVERSITY BOARD OF TRUSTEES; UNIVERSITY OF HAWAII

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; UNIVERSITY OF HAWAII

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...)
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 240n/an/an/an/an/an/a



THE FLORIDA INTERNATIONAL UNIVERSITY BOARD OF TRUSTEES; UNIVERSITY OF HAWAII

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; UNIVERSITY OF HAWAII

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; UNIVERSITY OF HAWAII

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=1/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-/s2
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n/an/a 480n/an/an/an/an/an/a



THE FLORIDA INTERNATIONAL UNIVERSITY BOARD OF TRUSTEES; UNIVERSITY OF HAWAII

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; UNIVERSITY OF HAWAII

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))
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=1/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-/s2
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n/an/a 725n/an/an/an/an/an/a



THE FLORIDA INTERNATIONAL UNIVERSITY BOARD OF TRUSTEES; UNIVERSITY OF HAWAII

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=1/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-/s2
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n/an/a 725n/an/an/an/an/an/a



THE FLORIDA INTERNATIONAL UNIVERSITY BOARD OF TRUSTEES; UNIVERSITY OF HAWAII

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; UNIVERSITY OF HAWAII

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; UNIVERSITY OF HAWAII

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; UNIVERSITY OF HAWAII

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; UNIVERSITY OF HAWAII

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; UNIVERSITY OF HAWAII

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 II


(Homo sapiens (Human))
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 2.93E+3n/an/an/an/an/an/a



THE FLORIDA INTERNATIONAL UNIVERSITY BOARD OF TRUSTEES; UNIVERSITY OF HAWAII

US Patent


Assay Description
Human Topoisomerase IIα assays were carried out by adding the compounds to 185 ng of kinetoplast DNA (kDNA, from TopoGen) in the buffer supplied...


US Patent US10266550 (2019)

More data for this
Ligand-Target Pair
DNA topoisomerase II


(Homo sapiens (Human))
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 2.93E+3n/an/an/an/an/an/a



THE FLORIDA INTERNATIONAL UNIVERSITY BOARD OF TRUSTEES; UNIVERSITY OF HAWAII

US Patent


Assay Description
Human Topoisomerase IIα assays were carried out by adding the compounds to 185 ng of kinetoplast DNA (kDNA, from TopoGen) in the buffer supplied...


US Patent US10266550 (2019)

More data for this
Ligand-Target Pair
DNA topoisomerase II


(Homo sapiens (Human))
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=1/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-/s2
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n/an/a 2.93E+3n/an/an/an/an/an/a



THE FLORIDA INTERNATIONAL UNIVERSITY BOARD OF TRUSTEES; UNIVERSITY OF HAWAII

US Patent


Assay Description
Human Topoisomerase IIα assays were carried out by adding the compounds to 185 ng of kinetoplast DNA (kDNA, from TopoGen) in the buffer supplied...


US Patent US10266550 (2019)

More data for this
Ligand-Target Pair
DNA topoisomerase I


(Homo sapiens (Human))
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=1/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-/s2
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n/an/a 3.90E+3n/an/an/an/an/an/a



THE FLORIDA INTERNATIONAL UNIVERSITY BOARD OF TRUSTEES; UNIVERSITY OF HAWAII

US Patent


Assay Description
Human topoisomerase I relaxation assays were carried out with 0.5 U of enzyme in reaction buffer supplied by the manufacturer. The enzyme was mixed w...


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; UNIVERSITY OF HAWAII

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=1/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; UNIVERSITY OF HAWAII

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; UNIVERSITY OF HAWAII

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 I


(Homo sapiens (Human))
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 3.90E+3n/an/an/an/an/an/a



THE FLORIDA INTERNATIONAL UNIVERSITY BOARD OF TRUSTEES; UNIVERSITY OF HAWAII

US Patent


Assay Description
Human topoisomerase I relaxation assays were carried out with 0.5 U of enzyme in reaction buffer supplied by the manufacturer. The enzyme was mixed w...


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; UNIVERSITY OF HAWAII

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; UNIVERSITY OF HAWAII

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 Gyrase Subunit B


(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=1/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-/s2
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n/an/a 3.90E+3n/an/an/an/an/an/a



THE FLORIDA INTERNATIONAL UNIVERSITY BOARD OF TRUSTEES; UNIVERSITY OF HAWAII

US Patent


Assay Description
DNA gyrase supercoiling assays were carried out by mixing the compounds and the enzyme in a similar manner as above (EcTopI relaxation inhibition ass...


US Patent US10266550 (2019)

More data for this
Ligand-Target Pair
DNA Gyrase Subunit B


(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=1/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-/s2
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n/an/a 3.90E+3n/an/an/an/an/an/a



THE FLORIDA INTERNATIONAL UNIVERSITY BOARD OF TRUSTEES; UNIVERSITY OF HAWAII

US Patent


Assay Description
DNA gyrase supercoiling assays were carried out by mixing the compounds and the enzyme in a similar manner as above (EcTopI relaxation inhibition ass...


US Patent US10266550 (2019)

More data for this
Ligand-Target Pair
DNA topoisomerase II


(Homo sapiens (Human))
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=1/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-/s2
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n/an/a 3.90E+3n/an/an/an/an/an/a



THE FLORIDA INTERNATIONAL UNIVERSITY BOARD OF TRUSTEES; UNIVERSITY OF HAWAII

US Patent


Assay Description
Human Topoisomerase IIα assays were carried out by adding the compounds to 185 ng of kinetoplast DNA (kDNA, from TopoGen) in the buffer supplied...


US Patent US10266550 (2019)

More data for this
Ligand-Target Pair
DNA Gyrase Subunit B


(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=1/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-/s2
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n/an/a 3.90E+3n/an/an/an/an/an/a



THE FLORIDA INTERNATIONAL UNIVERSITY BOARD OF TRUSTEES; UNIVERSITY OF HAWAII

US Patent


Assay Description
DNA gyrase supercoiling assays were carried out by mixing the compounds and the enzyme in a similar manner as above (EcTopI relaxation inhibition ass...


US Patent US10266550 (2019)

More data for this
Ligand-Target Pair
DNA topoisomerase I


(Homo sapiens (Human))
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=1/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-/s2
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n/an/a 3.90E+3n/an/an/an/an/an/a



THE FLORIDA INTERNATIONAL UNIVERSITY BOARD OF TRUSTEES; UNIVERSITY OF HAWAII

US Patent


Assay Description
Human topoisomerase I relaxation assays were carried out with 0.5 U of enzyme in reaction buffer supplied by the manufacturer. The enzyme was mixed w...


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; UNIVERSITY OF HAWAII

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))
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; UNIVERSITY OF HAWAII

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 II


(Homo sapiens (Human))
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 5.85E+3n/an/an/an/an/an/a



THE FLORIDA INTERNATIONAL UNIVERSITY BOARD OF TRUSTEES; UNIVERSITY OF HAWAII

US Patent


Assay Description
Human Topoisomerase IIα assays were carried out by adding the compounds to 185 ng of kinetoplast DNA (kDNA, from TopoGen) in the buffer supplied...


US Patent US10266550 (2019)

More data for this
Ligand-Target Pair
DNA topoisomerase II


(Homo sapiens (Human))
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 5.85E+3n/an/an/an/an/an/a



THE FLORIDA INTERNATIONAL UNIVERSITY BOARD OF TRUSTEES; UNIVERSITY OF HAWAII

US Patent


Assay Description
Human Topoisomerase IIα assays were carried out by adding the compounds to 185 ng of kinetoplast DNA (kDNA, from TopoGen) in the buffer supplied...


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; UNIVERSITY OF HAWAII

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 I


(Homo sapiens (Human))
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 7.80E+3n/an/an/an/an/an/a



THE FLORIDA INTERNATIONAL UNIVERSITY BOARD OF TRUSTEES; UNIVERSITY OF HAWAII

US Patent


Assay Description
Human topoisomerase I relaxation assays were carried out with 0.5 U of enzyme in reaction buffer supplied by the manufacturer. The enzyme was mixed w...


US Patent US10266550 (2019)

More data for this
Ligand-Target Pair
DNA topoisomerase I


(Homo sapiens (Human))
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=1/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-/s2
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n/an/a 7.80E+3n/an/an/an/an/an/a



THE FLORIDA INTERNATIONAL UNIVERSITY BOARD OF TRUSTEES; UNIVERSITY OF HAWAII

US Patent


Assay Description
Human topoisomerase I relaxation assays were carried out with 0.5 U of enzyme in reaction buffer supplied by the manufacturer. The enzyme was mixed w...


US Patent US10266550 (2019)

More data for this
Ligand-Target Pair
DNA Gyrase Subunit B


(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 7.80E+3n/an/an/an/an/an/a



THE FLORIDA INTERNATIONAL UNIVERSITY BOARD OF TRUSTEES; UNIVERSITY OF HAWAII

US Patent


Assay Description
DNA gyrase supercoiling assays were carried out by mixing the compounds and the enzyme in a similar manner as above (EcTopI relaxation inhibition ass...


US Patent US10266550 (2019)

More data for this
Ligand-Target Pair
DNA Gyrase Subunit B


(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 1.17E+4n/an/an/an/an/an/a



THE FLORIDA INTERNATIONAL UNIVERSITY BOARD OF TRUSTEES; UNIVERSITY OF HAWAII

US Patent


Assay Description
DNA gyrase supercoiling assays were carried out by mixing the compounds and the enzyme in a similar manner as above (EcTopI relaxation inhibition ass...


US Patent US10266550 (2019)

More data for this
Ligand-Target Pair
DNA topoisomerase I


(Homo sapiens (Human))
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 1.17E+4n/an/an/an/an/an/a



THE FLORIDA INTERNATIONAL UNIVERSITY BOARD OF TRUSTEES; UNIVERSITY OF HAWAII

US Patent


Assay Description
Human topoisomerase I relaxation assays were carried out with 0.5 U of enzyme in reaction buffer supplied by the manufacturer. The enzyme was mixed w...


US Patent US10266550 (2019)

More data for this
Ligand-Target Pair
DNA topoisomerase II


(Homo sapiens (Human))
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 1.56E+4n/an/an/an/an/an/a



THE FLORIDA INTERNATIONAL UNIVERSITY BOARD OF TRUSTEES; UNIVERSITY OF HAWAII

US Patent


Assay Description
Human Topoisomerase IIα assays were carried out by adding the compounds to 185 ng of kinetoplast DNA (kDNA, from TopoGen) in the buffer supplied...


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; UNIVERSITY OF HAWAII

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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US Patent
n/an/a 1.56E+4n/an/an/an/an/an/a



THE FLORIDA INTERNATIONAL UNIVERSITY BOARD OF TRUSTEES; UNIVERSITY OF HAWAII

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; UNIVERSITY OF HAWAII

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 Gyrase Subunit B


(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 1.56E+4n/an/an/an/an/an/a



THE FLORIDA INTERNATIONAL UNIVERSITY BOARD OF TRUSTEES; UNIVERSITY OF HAWAII

US Patent


Assay Description
DNA gyrase supercoiling assays were carried out by mixing the compounds and the enzyme in a similar manner as above (EcTopI relaxation inhibition ass...


US Patent US10266550 (2019)

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; UNIVERSITY OF HAWAII

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 I


(Homo sapiens (Human))
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 1.56E+4n/an/an/an/an/an/a



THE FLORIDA INTERNATIONAL UNIVERSITY BOARD OF TRUSTEES; UNIVERSITY OF HAWAII

US Patent


Assay Description
Human topoisomerase I relaxation assays were carried out with 0.5 U of enzyme in reaction buffer supplied by the manufacturer. The enzyme was mixed w...


US Patent US10266550 (2019)

More data for this
Ligand-Target Pair
DNA topoisomerase I


(Homo sapiens (Human))
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 1.56E+4n/an/an/an/an/an/a



THE FLORIDA INTERNATIONAL UNIVERSITY BOARD OF TRUSTEES; UNIVERSITY OF HAWAII

US Patent


Assay Description
Human topoisomerase I relaxation assays were carried out with 0.5 U of enzyme in reaction buffer supplied by the manufacturer. The enzyme was mixed w...


US Patent US10266550 (2019)

More data for this
Ligand-Target Pair
DNA Gyrase Subunit B


(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 2.34E+4n/an/an/an/an/an/a



THE FLORIDA INTERNATIONAL UNIVERSITY BOARD OF TRUSTEES; UNIVERSITY OF HAWAII

US Patent


Assay Description
DNA gyrase supercoiling assays were carried out by mixing the compounds and the enzyme in a similar manner as above (EcTopI relaxation inhibition ass...


US Patent US10266550 (2019)

More data for this
Ligand-Target Pair
DNA Gyrase Subunit B


(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 2.34E+4n/an/an/an/an/an/a



THE FLORIDA INTERNATIONAL UNIVERSITY BOARD OF TRUSTEES; UNIVERSITY OF HAWAII

US Patent


Assay Description
DNA gyrase supercoiling assays were carried out by mixing the compounds and the enzyme in a similar manner as above (EcTopI relaxation inhibition ass...


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; UNIVERSITY OF HAWAII

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 I


(Homo sapiens (Human))
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 3.13E+4n/an/an/an/an/an/a



THE FLORIDA INTERNATIONAL UNIVERSITY BOARD OF TRUSTEES; UNIVERSITY OF HAWAII

US Patent


Assay Description
Human topoisomerase I relaxation assays were carried out with 0.5 U of enzyme in reaction buffer supplied by the manufacturer. The enzyme was mixed w...


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; UNIVERSITY OF HAWAII

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 I


(Homo sapiens (Human))
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; UNIVERSITY OF HAWAII

US Patent


Assay Description
Human topoisomerase I relaxation assays were carried out with 0.5 U of enzyme in reaction buffer supplied by the manufacturer. The enzyme was mixed w...


US Patent US10266550 (2019)

More data for this
Ligand-Target Pair
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; UNIVERSITY OF HAWAII

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 I


(Homo sapiens (Human))
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 3.13E+4n/an/an/an/an/an/a



THE FLORIDA INTERNATIONAL UNIVERSITY BOARD OF TRUSTEES; UNIVERSITY OF HAWAII

US Patent


Assay Description
Human topoisomerase I relaxation assays were carried out with 0.5 U of enzyme in reaction buffer supplied by the manufacturer. The enzyme was mixed w...


US Patent US10266550 (2019)

More data for this
Ligand-Target Pair
DNA Gyrase Subunit B


(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 6.25E+4n/an/an/an/an/an/a



THE FLORIDA INTERNATIONAL UNIVERSITY BOARD OF TRUSTEES; UNIVERSITY OF HAWAII

US Patent


Assay Description
DNA gyrase supercoiling assays were carried out by mixing the compounds and the enzyme in a similar manner as above (EcTopI relaxation inhibition ass...


US Patent US10266550 (2019)

More data for this
Ligand-Target Pair
DNA Gyrase Subunit B


(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 9.38E+4n/an/an/an/an/an/a



THE FLORIDA INTERNATIONAL UNIVERSITY BOARD OF TRUSTEES; UNIVERSITY OF HAWAII

US Patent


Assay Description
DNA gyrase supercoiling assays were carried out by mixing the compounds and the enzyme in a similar manner as above (EcTopI relaxation inhibition ass...


US Patent US10266550 (2019)

More data for this
Ligand-Target Pair
DNA topoisomerase II


(Homo sapiens (Human))
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=1/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-/s2
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n/an/a 9.80E+4n/an/an/an/an/an/a



THE FLORIDA INTERNATIONAL UNIVERSITY BOARD OF TRUSTEES; UNIVERSITY OF HAWAII

US Patent


Assay Description
Human Topoisomerase IIα assays were carried out by adding the compounds to 185 ng of kinetoplast DNA (kDNA, from TopoGen) in the buffer supplied...


US Patent US10266550 (2019)

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; UNIVERSITY OF HAWAII

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))
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; UNIVERSITY OF HAWAII

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 Gyrase Subunit B


(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>1.25E+5n/an/an/an/an/an/a



THE FLORIDA INTERNATIONAL UNIVERSITY BOARD OF TRUSTEES; UNIVERSITY OF HAWAII

US Patent


Assay Description
DNA gyrase supercoiling assays were carried out by mixing the compounds and the enzyme in a similar manner as above (EcTopI relaxation inhibition ass...


US Patent US10266550 (2019)

More data for this
Ligand-Target Pair
DNA topoisomerase II


(Homo sapiens (Human))
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 1.25E+5n/an/an/an/an/an/a



THE FLORIDA INTERNATIONAL UNIVERSITY BOARD OF TRUSTEES; UNIVERSITY OF HAWAII

US Patent


Assay Description
Human Topoisomerase IIα assays were carried out by adding the compounds to 185 ng of kinetoplast DNA (kDNA, from TopoGen) in the buffer supplied...


US Patent US10266550 (2019)

More data for this
Ligand-Target Pair
DNA topoisomerase II


(Homo sapiens (Human))
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)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 3.75E+5n/an/an/an/an/an/a



THE FLORIDA INTERNATIONAL UNIVERSITY BOARD OF TRUSTEES; UNIVERSITY OF HAWAII

US Patent


Assay Description
Human Topoisomerase IIα assays were carried out by adding the compounds to 185 ng of kinetoplast DNA (kDNA, from TopoGen) in the buffer supplied...


US Patent US10266550 (2019)

More data for this
Ligand-Target Pair
DNA topoisomerase II


(Homo sapiens (Human))
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)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a>5.00E+5n/an/an/an/an/an/a



THE FLORIDA INTERNATIONAL UNIVERSITY BOARD OF TRUSTEES; UNIVERSITY OF HAWAII

US Patent


Assay Description
Human Topoisomerase IIα assays were carried out by adding the compounds to 185 ng of kinetoplast DNA (kDNA, from TopoGen) in the buffer supplied...


US Patent US10266550 (2019)

More data for this
Ligand-Target Pair
* indicates data uncertainty>20%