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Compile Data Set for Download or QSAR

Found 50 hits Enz. Inhib. hit(s) with Target = 'DNA topoisomerase I' AND taxid = 10090   
Target
(Institution)
LigandTarget
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 I


(Mus musculus)
BDBM50242319
PNG
(4-hydroxysaprothoquinone | CHEMBL453303)
Show SMILES CC(C)C1=Cc2ccc(C)c(CCCC(C)(C)O)c2C(=O)C1=O
Show InChI InChI=1S/C20H26O3/c1-12(2)16-11-14-9-8-13(3)15(7-6-10-20(4,5)23)17(14)19(22)18(16)21/h8-9,11-12,23H,6-7,10H2,1-5H3
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n/an/a 800n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of topoisomerase 1 extracted from mouse EAC cells assessed as inhibition of Escherichia coli pBR322 relaxation


J Nat Prod 65: 1016-20 (2002)

More data for this
Ligand-Target Pair
DNA topoisomerase I


(Mus musculus)
BDBM50092821
PNG
((R)-4-Ethyl-4-methyl-1,4a,12,13a-tetrahydro-4H-2-o...)
Show SMILES CCc1c2Cn3c(cc4c(COC(=O)[C@]4(O)CC)c3=O)-c2nc2ccccc12
Show InChI InChI=1S/C22H20N2O4/c1-3-12-13-7-5-6-8-17(13)23-19-14(12)10-24-18(19)9-16-15(20(24)25)11-28-21(26)22(16,27)4-2/h5-9,27H,3-4,10-11H2,1-2H3/t22-/m0/s1
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n/an/a 4.00E+3n/an/an/an/an/an/a



Life Science Research Center

Curated by ChEMBL


Assay Description
Average concentration to cause 50% inhibition of topo 1 using the cleavable complex assay


J Med Chem 44: 1594-602 (2001)

More data for this
Ligand-Target Pair
DNA topoisomerase I


(Mus musculus)
BDBM50099251
PNG
(9,16-diethyl-9-hydroxy-(9S)-2,3,9,10,13,15-hexahyd...)
Show SMILES CCc1c2Cn3c(cc4c(COC(=O)[C@]4(O)CC)c3=O)-c2nc2ccc3OCCNc3c12
Show InChI InChI=1S/C24H23N3O5/c1-3-12-13-10-27-17(9-15-14(22(27)28)11-32-23(29)24(15,30)4-2)20(13)26-16-5-6-18-21(19(12)16)25-7-8-31-18/h5-6,9,25,30H,3-4,7-8,10-11H2,1-2H3/t24-/m0/s1
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n/an/a 5.00E+3n/an/an/an/an/an/a



Life Science Research Center

Curated by ChEMBL


Assay Description
Average concentration to cause 50% inhibition of topo 1 using the cleavable complex assay


J Med Chem 44: 1594-602 (2001)

More data for this
Ligand-Target Pair
DNA topoisomerase I


(Mus musculus)
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 1.20E+4n/an/an/an/an/an/a



Kumamoto University

Curated by ChEMBL


Assay Description
Inhibition topoisomerase 1 in mouse NIH/3T3 cells assessed as conversion of supercoiled pBR322 DNA to relaxed form


J Nat Prod 64: 204-7 (2001)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
DNA topoisomerase I


(Mus musculus)
BDBM50099248
PNG
(1,9-diethyl-9-hydroxy-(9S)-2,3,9,10,13,15-hexahydr...)
Show SMILES CCN1CCOc2ccc3nc-4c(Cn5c-4cc4c(COC(=O)[C@]4(O)CC)c5=O)cc3c12
Show InChI InChI=1S/C24H23N3O5/c1-3-24(30)16-10-18-20-13(11-27(18)22(28)15(16)12-32-23(24)29)9-14-17(25-20)5-6-19-21(14)26(4-2)7-8-31-19/h5-6,9-10,30H,3-4,7-8,11-12H2,1-2H3/t24-/m0/s1
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n/an/a 1.20E+4n/an/an/an/an/an/a



Life Science Research Center

Curated by ChEMBL


Assay Description
Average concentration to cause 50% inhibition of topo 1 using the cleavable complex assay


J Med Chem 44: 1594-602 (2001)

More data for this
Ligand-Target Pair
DNA topoisomerase I


(Mus musculus)
BDBM50099250
PNG
(2-[9-ethyl-9-hydroxy-10,13-dioxo-(9S)-2,3,9,10,13,...)
Show SMILES CC[C@@]1(O)C(=O)OCc2c1cc1-c3nc4ccc5OCCN(CC#N)c5c4cc3Cn1c2=O
Show InChI InChI=1S/C24H20N4O5/c1-2-24(31)16-10-18-20-13(11-28(18)22(29)15(16)12-33-23(24)30)9-14-17(26-20)3-4-19-21(14)27(6-5-25)7-8-32-19/h3-4,9-10,31H,2,6-8,11-12H2,1H3/t24-/m0/s1
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n/an/a 1.60E+4n/an/an/an/an/an/a



Life Science Research Center

Curated by ChEMBL


Assay Description
Average concentration to cause 50% inhibition of topo 1 using the cleavable complex assay


J Med Chem 44: 1594-602 (2001)

More data for this
Ligand-Target Pair
DNA topoisomerase I


(Mus musculus)
BDBM50008935
PNG
((20S)-10-Dimethylaminomethyl-4-ethyl-4,9-dihydroxy...)
Show SMILES CC[C@@]1(O)C(=O)OCc2c1cc1-c3nc4ccc(O)c(CN(C)C)c4cc3Cn1c2=O
Show InChI InChI=1S/C23H23N3O5/c1-4-23(30)16-8-18-20-12(9-26(18)21(28)15(16)11-31-22(23)29)7-13-14(10-25(2)3)19(27)6-5-17(13)24-20/h5-8,27,30H,4,9-11H2,1-3H3/t23-/m0/s1
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n/an/a 2.00E+4n/an/an/an/an/an/a



Life Science Research Center

Curated by ChEMBL


Assay Description
Average concentration to cause 50% inhibition of topo 1 using the cleavable complex assay


J Med Chem 44: 1594-602 (2001)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
DNA topoisomerase I


(Mus musculus)
BDBM50099246
PNG
(9-ethyl-9-hydroxy-1-methyl-(9S)-2,3,9,10,13,15-hex...)
Show SMILES CC[C@@]1(O)C(=O)OCc2c1cc1-c3nc4ccc5OCCN(C)c5c4cc3Cn1c2=O
Show InChI InChI=1S/C23H21N3O5/c1-3-23(29)15-9-17-19-12(10-26(17)21(27)14(15)11-31-22(23)28)8-13-16(24-19)4-5-18-20(13)25(2)6-7-30-18/h4-5,8-9,29H,3,6-7,10-11H2,1-2H3/t23-/m0/s1
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n/an/a 2.10E+4n/an/an/an/an/an/a



Life Science Research Center

Curated by ChEMBL


Assay Description
Average concentration to cause 50% inhibition of topo 1 using the cleavable complex assay


J Med Chem 44: 1594-602 (2001)

More data for this
Ligand-Target Pair
DNA topoisomerase I


(Mus musculus)
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 4.00E+4n/an/an/an/an/an/a



Life Science Research Center

Curated by ChEMBL


Assay Description
Average concentration to cause 50% inhibition of topo 1 using the cleavable complex assay


J Med Chem 44: 1594-602 (2001)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
DNA topoisomerase I


(Mus musculus)
BDBM50099244
PNG
(9-ethyl-9-hydroxy-(9S)-2,3,9,10,13,15-hexahydro-1H...)
Show SMILES CC[C@@]1(O)C(=O)OCc2c1cc1-c3nc4ccc5OCCNc5c4cc3Cn1c2=O
Show InChI InChI=1S/C22H19N3O5/c1-2-22(28)14-8-16-18-11(9-25(16)20(26)13(14)10-30-21(22)27)7-12-15(24-18)3-4-17-19(12)23-5-6-29-17/h3-4,7-8,23,28H,2,5-6,9-10H2,1H3/t22-/m0/s1
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n/an/a 4.10E+4n/an/an/an/an/an/a



Life Science Research Center

Curated by ChEMBL


Assay Description
Average concentration to cause 50% inhibition of topo 1 using the cleavable complex assay


J Med Chem 44: 1594-602 (2001)

More data for this
Ligand-Target Pair
DNA topoisomerase I


(Mus musculus)
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 4.70E+4n/an/an/an/an/an/a



Kumamoto University

Curated by ChEMBL


Assay Description
Inhibition topoisomerase 1 in mouse NIH/3T3 cells assessed as conversion of supercoiled pBR322 DNA to relaxed form


J Nat Prod 64: 204-7 (2001)

More data for this
Ligand-Target Pair
DNA topoisomerase I


(Mus musculus)
BDBM50081429
PNG
((4R,4aS)-4,8-Dihydroxy-6-methyl-9-oxo-4,9-dihydro-...)
Show SMILES Cc1cc(O)c2C(=O)C3=CC=C[C@@H](O)[C@]3(Oc2c1)C(N)=O
Show InChI InChI=1S/C15H13NO5/c1-7-5-9(17)12-10(6-7)21-15(14(16)20)8(13(12)19)3-2-4-11(15)18/h2-6,11,17-18H,1H3,(H2,16,20)/t11-,15+/m1/s1
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n/an/a 6.30E+4n/an/an/an/an/an/a



Ajinomoto Co., Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against topoisomerase I (Topo I) by using relaxation assay


Bioorg Med Chem Lett 9: 2653-6 (1999)

More data for this
Ligand-Target Pair
DNA topoisomerase I


(Mus musculus)
BDBM50081428
PNG
((4R,4aS)-4,8-Dihydroxy-6-methyl-9-oxo-4,9-dihydro-...)
Show SMILES Cc1cc(O)c2C(=O)C3=CC=C[C@@H](O)[C@]3(Oc2c1)C(=O)NCCO
Show InChI InChI=1S/C17H17NO6/c1-9-7-11(20)14-12(8-9)24-17(16(23)18-5-6-19)10(15(14)22)3-2-4-13(17)21/h2-4,7-8,13,19-21H,5-6H2,1H3,(H,18,23)/t13-,17+/m1/s1
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n/an/a 1.02E+5n/an/an/an/an/an/a



Ajinomoto Co., Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against topoisomerase I (Topo I) by using relaxation assay


Bioorg Med Chem Lett 9: 2653-6 (1999)

More data for this
Ligand-Target Pair
DNA topoisomerase I


(Mus musculus)
BDBM50099245
PNG
(1-(2-aminoethyl)-9-ethyl-9-hydroxy-(9S)-2,3,9,10,1...)
Show SMILES CC[C@@]1(O)C(=O)OCc2c1cc1-c3nc4ccc5OCCN(CCN)c5c4cc3Cn1c2=O
Show InChI InChI=1S/C24H24N4O5/c1-2-24(31)16-10-18-20-13(11-28(18)22(29)15(16)12-33-23(24)30)9-14-17(26-20)3-4-19-21(14)27(6-5-25)7-8-32-19/h3-4,9-10,31H,2,5-8,11-12,25H2,1H3/t24-/m0/s1
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n/an/a 1.33E+5n/an/an/an/an/an/a



Life Science Research Center

Curated by ChEMBL


Assay Description
Average concentration to cause 50% inhibition of topo 1 using the cleavable complex assay


J Med Chem 44: 1594-602 (2001)

More data for this
Ligand-Target Pair
DNA topoisomerase I


(Mus musculus)
BDBM50081427
PNG
((4R,4aS)-4,8-Dihydroxy-6-methyl-9-oxo-4,9-dihydro-...)
Show SMILES COC(=O)[C@]12Oc3cc(C)cc(O)c3C(=O)C1=CC=C[C@H]2O
Show InChI InChI=1S/C16H14O6/c1-8-6-10(17)13-11(7-8)22-16(15(20)21-2)9(14(13)19)4-3-5-12(16)18/h3-7,12,17-18H,1-2H3/t12-,16+/m1/s1
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n/an/a 1.72E+5n/an/an/an/an/an/a



Ajinomoto Co., Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against topoisomerase I (Topo I) by using relaxation assay


Bioorg Med Chem Lett 9: 2653-6 (1999)

More data for this
Ligand-Target Pair
DNA topoisomerase I


(Mus musculus)
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 mouse NIH/3T3 cells assessed as conversion of supercoiled pBR322 DNA to relaxed form


J Nat Prod 64: 204-7 (2001)

More data for this
Ligand-Target Pair
DNA topoisomerase I


(Mus musculus)
BDBM50081426
PNG
((4R,4aS)-4,8-Dihydroxy-6-methyl-9-oxo-4,9-dihydro-...)
Show SMILES CNC(=O)[C@]12Oc3cc(C)cc(O)c3C(=O)C1=CC=C[C@H]2O
Show InChI InChI=1S/C16H15NO5/c1-8-6-10(18)13-11(7-8)22-16(15(21)17-2)9(14(13)20)4-3-5-12(16)19/h3-7,12,18-19H,1-2H3,(H,17,21)/t12-,16+/m1/s1
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n/an/a>3.00E+5n/an/an/an/an/an/a



Ajinomoto Co., Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against topoisomerase I (Topo I) by using relaxation assay


Bioorg Med Chem Lett 9: 2653-6 (1999)

More data for this
Ligand-Target Pair
DNA topoisomerase I


(Mus musculus)
BDBM50081431
PNG
(7,16-dihydroxy-5,14-dimethyl-(1S,13S,16R)-2-oxa-14...)
Show SMILES CN1C2CC=C3C(=O)c4c(O)cc(C)cc4O[C@@]3([C@@H]2O)C1=O
Show InChI InChI=1S/C16H15NO5/c1-7-5-10(18)12-11(6-7)22-16-8(13(12)19)3-4-9(14(16)20)17(2)15(16)21/h3,5-6,9,14,18,20H,4H2,1-2H3/t9?,14-,16+/m1/s1
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n/an/a>3.00E+5n/an/an/an/an/an/a



Ajinomoto Co., Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against topoisomerase I (Topo I) by using relaxation assay


Bioorg Med Chem Lett 9: 2653-6 (1999)

More data for this
Ligand-Target Pair
DNA topoisomerase I


(Mus musculus)
BDBM50164888
PNG
(6-Hydroxy-3-[1-(4-hydroxy-phenyl)-meth-(E)-ylidene...)
Show SMILES Oc1ccc(\C=C2\C(=O)Oc3cc(O)ccc23)cc1
Show InChI InChI=1S/C15H10O4/c16-10-3-1-9(2-4-10)7-13-12-6-5-11(17)8-14(12)19-15(13)18/h1-8,16-17H/b13-7+
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Kumamoto University

Curated by ChEMBL


Assay Description
Inhibition topoisomerase 1 in mouse NIH/3T3 cells assessed as conversion of supercoiled pBR322 DNA to relaxed form


J Nat Prod 64: 204-7 (2001)

More data for this
Ligand-Target Pair
DNA topoisomerase I


(Mus musculus)
BDBM50099253
PNG
(9,16-diethyl-9-hydroxy-1-methyl-(9S)-2,3,9,10,13,1...)
Show SMILES CCc1c2Cn3c(cc4c(COC(=O)[C@]4(O)CC)c3=O)-c2nc2ccc3OCCN(C)c3c12
Show InChI InChI=1S/C25H25N3O5/c1-4-13-14-11-28-18(10-16-15(23(28)29)12-33-24(30)25(16,31)5-2)21(14)26-17-6-7-19-22(20(13)17)27(3)8-9-32-19/h6-7,10,31H,4-5,8-9,11-12H2,1-3H3/t25-/m0/s1
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n/an/a 1.60E+6n/an/an/an/an/an/a



Life Science Research Center

Curated by ChEMBL


Assay Description
Average concentration to cause 50% inhibition of topo 1 using the cleavable complex assay


J Med Chem 44: 1594-602 (2001)

More data for this
Ligand-Target Pair
DNA topoisomerase I


(Mus musculus)
BDBM50249686
PNG
(2,10-Dihydroxy-6-[(3-hydroxybenzyl)amino]-13-(beta...)
Show SMILES OC[C@H]1O[C@@H](On2c3cc(O)ccc3c3c4C(=O)N(NCc5cccc(O)c5)C(=O)c4c4c5ccc(O)cc5[nH]c4c23)[C@H](O)[C@@H](O)[C@@H]1O
Show InChI InChI=1S/C33H28N4O11/c38-12-21-28(42)29(43)30(44)33(47-21)48-37-20-10-16(41)5-7-18(20)23-25-24(22-17-6-4-15(40)9-19(17)35-26(22)27(23)37)31(45)36(32(25)46)34-11-13-2-1-3-14(39)8-13/h1-10,21,28-30,33-35,38-44H,11-12H2/t21-,28-,29+,30-,33+/m1/s1
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n/an/an/an/a 23n/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inhibition of DNA topoisomerase 1 in mouse P388/S cells assessed as formation of topoisomerase 1-DNA complex by protinase K/SDS method


Citation and Details
More data for this
Ligand-Target Pair
DNA topoisomerase I


(Mus musculus)
BDBM50249697
PNG
(2,10-Dihydroxy-6-({[2-(hydroxymethyl)pyridin-4-yl]...)
Show SMILES OC[C@H]1O[C@@H](On2c3cc(O)ccc3c3c4C(=O)N(NCc5ccnc(CO)c5)C(=O)c4c4c5ccc(O)cc5[nH]c4c23)[C@H](O)[C@@H](O)[C@@H]1O
Show InChI InChI=1S/C33H29N5O11/c39-11-14-7-13(5-6-34-14)10-35-37-31(46)24-22-17-3-1-15(41)8-19(17)36-26(22)27-23(25(24)32(37)47)18-4-2-16(42)9-20(18)38(27)49-33-30(45)29(44)28(43)21(12-40)48-33/h1-9,21,28-30,33,35-36,39-45H,10-12H2/t21-,28-,29+,30-,33+/m1/s1
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n/an/an/an/a 100n/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inhibition of DNA topoisomerase 1 in mouse P388/S cells assessed as formation of topoisomerase 1-DNA complex by protinase K/SDS method


Citation and Details
More data for this
Ligand-Target Pair
DNA topoisomerase I


(Mus musculus)
BDBM50249689
PNG
(2,10-Dihydroxy-6-({[6-(hydroxymethyl)pyridin-2-yl]...)
Show SMILES OC[C@H]1O[C@@H](On2c3cc(O)ccc3c3c4C(=O)N(NCc5cccc(CO)n5)C(=O)c4c4c5ccc(O)cc5[nH]c4c23)[C@H](O)[C@@H](O)[C@@H]1O
Show InChI InChI=1S/C33H29N5O11/c39-11-14-3-1-2-13(35-14)10-34-37-31(46)24-22-17-6-4-15(41)8-19(17)36-26(22)27-23(25(24)32(37)47)18-7-5-16(42)9-20(18)38(27)49-33-30(45)29(44)28(43)21(12-40)48-33/h1-9,21,28-30,33-34,36,39-45H,10-12H2/t21-,28-,29+,30-,33+/m1/s1
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n/an/an/an/a 73n/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inhibition of DNA topoisomerase 1 in mouse P388/S cells assessed as formation of topoisomerase 1-DNA complex by protinase K/SDS method


Citation and Details
More data for this
Ligand-Target Pair
DNA topoisomerase I


(Mus musculus)
BDBM50249668
PNG
(6-(Benzylamino)-2,10-dihydroxy-13-(beta-D-glucopyr...)
Show SMILES OC[C@H]1O[C@@H](On2c3cc(O)ccc3c3c4C(=O)N(NCc5ccccc5)C(=O)c4c4c5ccc(O)cc5[nH]c4c23)[C@H](O)[C@@H](O)[C@@H]1O
Show InChI InChI=1S/C33H28N4O10/c38-13-21-28(41)29(42)30(43)33(46-21)47-37-20-11-16(40)7-9-18(20)23-25-24(22-17-8-6-15(39)10-19(17)35-26(22)27(23)37)31(44)36(32(25)45)34-12-14-4-2-1-3-5-14/h1-11,21,28-30,33-35,38-43H,12-13H2/t21-,28-,29+,30-,33+/m1/s1
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n/an/an/an/a 80n/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inhibition of DNA topoisomerase 1 in mouse P388/S cells assessed as formation of topoisomerase 1-DNA complex by protinase K/SDS method


Citation and Details
More data for this
Ligand-Target Pair
DNA topoisomerase I


(Mus musculus)
BDBM50249694
PNG
(2,10-Dihydroxy-6-({[5-(hydroxymethyl)pyridin-3-yl]...)
Show SMILES OC[C@H]1O[C@@H](On2c3cc(O)ccc3c3c4C(=O)N(NCc5cncc(CO)c5)C(=O)c4c4c5ccc(O)cc5[nH]c4c23)[C@H](O)[C@@H](O)[C@@H]1O
Show InChI InChI=1S/C33H29N5O11/c39-11-14-5-13(8-34-9-14)10-35-37-31(46)24-22-17-3-1-15(41)6-19(17)36-26(22)27-23(25(24)32(37)47)18-4-2-16(42)7-20(18)38(27)49-33-30(45)29(44)28(43)21(12-40)48-33/h1-9,21,28-30,33,35-36,39-45H,10-12H2/t21-,28-,29+,30-,33+/m1/s1
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n/an/an/an/a 90n/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inhibition of DNA topoisomerase 1 in mouse P388/S cells assessed as formation of topoisomerase 1-DNA complex by protinase K/SDS method


Citation and Details
More data for this
Ligand-Target Pair
DNA topoisomerase I


(Mus musculus)
BDBM50249679
PNG
(CHEMBL447069 | edotecarin)
Show SMILES OCC(CO)NN1C(=O)c2c(C1=O)c1c3ccc(O)cc3n(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c1c1[nH]c3cc(O)ccc3c21
Show InChI InChI=1S/C29H28N4O12/c34-7-10(8-35)31-32-27(42)20-18-13-3-1-11(37)5-15(13)30-22(18)23-19(21(20)28(32)43)14-4-2-12(38)6-16(14)33(23)45-29-26(41)25(40)24(39)17(9-36)44-29/h1-6,10,17,24-26,29-31,34-41H,7-9H2/t17-,24-,25+,26-,29+/m1/s1
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n/an/an/an/a 1.5n/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inhibition of DNA topoisomerase 1 in mouse P388/S cells assessed as formation of topoisomerase 1-DNA complex by protinase K/SDS method


Citation and Details
More data for this
Ligand-Target Pair
DNA topoisomerase I


(Mus musculus)
BDBM50249692
PNG
(2,10-Dihydroxy-6-({[3-(hydroxymethyl)pyridin-2-yl]...)
Show SMILES OC[C@H]1O[C@@H](On2c3cc(O)ccc3c3c4C(=O)N(NCc5ncccc5CO)C(=O)c4c4c5ccc(O)cc5[nH]c4c23)[C@H](O)[C@@H](O)[C@@H]1O
Show InChI InChI=1S/C33H29N5O11/c39-11-13-2-1-7-34-19(13)10-35-37-31(46)24-22-16-5-3-14(41)8-18(16)36-26(22)27-23(25(24)32(37)47)17-6-4-15(42)9-20(17)38(27)49-33-30(45)29(44)28(43)21(12-40)48-33/h1-9,21,28-30,33,35-36,39-45H,10-12H2/t21-,28-,29+,30-,33+/m1/s1
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n/an/an/an/a 400n/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inhibition of DNA topoisomerase 1 in mouse P388/S cells assessed as formation of topoisomerase 1-DNA complex by protinase K/SDS method


Citation and Details
More data for this
Ligand-Target Pair
DNA topoisomerase I


(Mus musculus)
BDBM50249674
PNG
(2,10-Dihydroxy-6-[(pyridin-4-ylmethyl)amino]-13-(b...)
Show SMILES OC[C@H]1O[C@@H](On2c3cc(O)ccc3c3c4C(=O)N(NCc5ccncc5)C(=O)c4c4c5ccc(O)cc5[nH]c4c23)[C@H](O)[C@@H](O)[C@@H]1O
Show InChI InChI=1S/C32H27N5O10/c38-12-20-27(41)28(42)29(43)32(46-20)47-37-19-10-15(40)2-4-17(19)22-24-23(21-16-3-1-14(39)9-18(16)35-25(21)26(22)37)30(44)36(31(24)45)34-11-13-5-7-33-8-6-13/h1-10,20,27-29,32,34-35,38-43H,11-12H2/t20-,27-,28+,29-,32+/m1/s1
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n/an/an/an/a 420n/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inhibition of DNA topoisomerase 1 in mouse P388/S cells assessed as formation of topoisomerase 1-DNA complex by protinase K/SDS method


Citation and Details
More data for this
Ligand-Target Pair
DNA topoisomerase I


(Mus musculus)
BDBM50249670
PNG
(6-[(3-Furylmethyl)amino]-2,10-dihydroxy-13-(beta-D...)
Show SMILES OC[C@H]1O[C@@H](On2c3cc(O)ccc3c3c4C(=O)N(NCc5ccoc5)C(=O)c4c4c5ccc(O)cc5[nH]c4c23)[C@H](O)[C@@H](O)[C@@H]1O
Show InChI InChI=1S/C31H26N4O11/c36-10-19-26(39)27(40)28(41)31(45-19)46-35-18-8-14(38)2-4-16(18)21-23-22(29(42)34(30(23)43)32-9-12-5-6-44-11-12)20-15-3-1-13(37)7-17(15)33-24(20)25(21)35/h1-8,11,19,26-28,31-33,36-41H,9-10H2/t19-,26-,27+,28-,31+/m1/s1
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n/an/an/an/a 470n/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inhibition of DNA topoisomerase 1 in mouse P388/S cells assessed as formation of topoisomerase 1-DNA complex by protinase K/SDS method


Citation and Details
More data for this
Ligand-Target Pair
DNA topoisomerase I


(Mus musculus)
BDBM50249685
PNG
(2,10-Dihydroxy-6-{[4-(hydroxymethyl)benzyl]amino}-...)
Show SMILES OC[C@H]1O[C@@H](On2c3cc(O)ccc3c3c4C(=O)N(NCc5ccc(CO)cc5)C(=O)c4c4c5ccc(O)cc5[nH]c4c23)[C@H](O)[C@@H](O)[C@@H]1O
Show InChI InChI=1S/C34H30N4O11/c39-12-15-3-1-14(2-4-15)11-35-37-32(46)25-23-18-7-5-16(41)9-20(18)36-27(23)28-24(26(25)33(37)47)19-8-6-17(42)10-21(19)38(28)49-34-31(45)30(44)29(43)22(13-40)48-34/h1-10,22,29-31,34-36,39-45H,11-13H2/t22-,29-,30+,31-,34+/m1/s1
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n/an/an/an/a 600n/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inhibition of DNA topoisomerase 1 in mouse P388/S cells assessed as formation of topoisomerase 1-DNA complex by protinase K/SDS method


Citation and Details
More data for this
Ligand-Target Pair
DNA topoisomerase I


(Mus musculus)
BDBM50249684
PNG
(2,10-Dihydroxy-6-[(4-hydroxybenzyl)amino]-13-(beta...)
Show SMILES OC[C@H]1O[C@@H](On2c3cc(O)ccc3c3c4C(=O)N(NCc5ccc(O)cc5)C(=O)c4c4c5ccc(O)cc5[nH]c4c23)[C@H](O)[C@@H](O)[C@@H]1O
Show InChI InChI=1S/C33H28N4O11/c38-12-21-28(42)29(43)30(44)33(47-21)48-37-20-10-16(41)6-8-18(20)23-25-24(22-17-7-5-15(40)9-19(17)35-26(22)27(23)37)31(45)36(32(25)46)34-11-13-1-3-14(39)4-2-13/h1-10,21,28-30,33-35,38-44H,11-12H2/t21-,28-,29+,30-,33+/m1/s1
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n/an/an/an/a 120n/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inhibition of DNA topoisomerase 1 in mouse P388/S cells assessed as formation of topoisomerase 1-DNA complex by protinase K/SDS method


Citation and Details
More data for this
Ligand-Target Pair
DNA topoisomerase I


(Mus musculus)
BDBM50249690
PNG
(2,10-Dihydroxy-6-({[5-(hydroxymethyl)pyridin-2-yl]...)
Show SMILES OC[C@H]1O[C@@H](On2c3cc(O)ccc3c3c4C(=O)N(NCc5ccc(CO)cn5)C(=O)c4c4c5ccc(O)cc5[nH]c4c23)[C@H](O)[C@@H](O)[C@@H]1O
Show InChI InChI=1S/C33H29N5O11/c39-11-13-1-2-14(34-9-13)10-35-37-31(46)24-22-17-5-3-15(41)7-19(17)36-26(22)27-23(25(24)32(37)47)18-6-4-16(42)8-20(18)38(27)49-33-30(45)29(44)28(43)21(12-40)48-33/h1-9,21,28-30,33,35-36,39-45H,10-12H2/t21-,28-,29+,30-,33+/m1/s1
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n/an/an/an/a 120n/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inhibition of DNA topoisomerase 1 in mouse P388/S cells assessed as formation of topoisomerase 1-DNA complex by protinase K/SDS method


Citation and Details
More data for this
Ligand-Target Pair
DNA topoisomerase I


(Mus musculus)
BDBM50249695
PNG
(2,10-Dihydroxy-6-({[6-(hydroxymethyl)pyridin-3-yl]...)
Show SMILES OC[C@H]1O[C@@H](On2c3cc(O)ccc3c3c4C(=O)N(NCc5ccc(CO)nc5)C(=O)c4c4c5ccc(O)cc5[nH]c4c23)[C@H](O)[C@@H](O)[C@@H]1O
Show InChI InChI=1S/C33H29N5O11/c39-11-14-2-1-13(9-34-14)10-35-37-31(46)24-22-17-5-3-15(41)7-19(17)36-26(22)27-23(25(24)32(37)47)18-6-4-16(42)8-20(18)38(27)49-33-30(45)29(44)28(43)21(12-40)48-33/h1-9,21,28-30,33,35-36,39-45H,10-12H2/t21-,28-,29+,30-,33+/m1/s1
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n/an/an/an/a 130n/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inhibition of DNA topoisomerase 1 in mouse P388/S cells assessed as formation of topoisomerase 1-DNA complex by protinase K/SDS method


Citation and Details
More data for this
Ligand-Target Pair
DNA topoisomerase I


(Mus musculus)
BDBM50249696
PNG
(2,10-Dihydroxy-6-({[3-(hydroxymethyl)pyridin-4-yl]...)
Show SMILES OC[C@H]1O[C@@H](On2c3cc(O)ccc3c3c4C(=O)N(NCc5ccncc5CO)C(=O)c4c4c5ccc(O)cc5[nH]c4c23)[C@H](O)[C@@H](O)[C@@H]1O
Show InChI InChI=1S/C33H29N5O11/c39-11-14-9-34-6-5-13(14)10-35-37-31(46)24-22-17-3-1-15(41)7-19(17)36-26(22)27-23(25(24)32(37)47)18-4-2-16(42)8-20(18)38(27)49-33-30(45)29(44)28(43)21(12-40)48-33/h1-9,21,28-30,33,35-36,39-45H,10-12H2/t21-,28-,29+,30-,33+/m1/s1
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n/an/an/an/a 130n/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inhibition of DNA topoisomerase 1 in mouse P388/S cells assessed as formation of topoisomerase 1-DNA complex by protinase K/SDS method


Citation and Details
More data for this
Ligand-Target Pair
DNA topoisomerase I


(Mus musculus)
BDBM50249691
PNG
(2,10-Dihydroxy-6-({[4-(hydroxymethyl)pyridin-2-yl]...)
Show SMILES OC[C@H]1O[C@@H](On2c3cc(O)ccc3c3c4C(=O)N(NCc5cc(CO)ccn5)C(=O)c4c4c5ccc(O)cc5[nH]c4c23)[C@H](O)[C@@H](O)[C@@H]1O
Show InChI InChI=1S/C33H29N5O11/c39-11-13-5-6-34-14(7-13)10-35-37-31(46)24-22-17-3-1-15(41)8-19(17)36-26(22)27-23(25(24)32(37)47)18-4-2-16(42)9-20(18)38(27)49-33-30(45)29(44)28(43)21(12-40)48-33/h1-9,21,28-30,33,35-36,39-45H,10-12H2/t21-,28-,29+,30-,33+/m1/s1
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n/an/an/an/a 160n/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inhibition of DNA topoisomerase 1 in mouse P388/S cells assessed as formation of topoisomerase 1-DNA complex by protinase K/SDS method


Citation and Details
More data for this
Ligand-Target Pair
DNA topoisomerase I


(Mus musculus)
BDBM50249669
PNG
(6-[(2-Furylmethyl)amino]-2,10-dihydroxy-13-(beta-D...)
Show SMILES OC[C@H]1O[C@@H](On2c3cc(O)ccc3c3c4C(=O)N(NCc5ccco5)C(=O)c4c4c5ccc(O)cc5[nH]c4c23)[C@H](O)[C@@H](O)[C@@H]1O
Show InChI InChI=1S/C31H26N4O11/c36-11-19-26(39)27(40)28(41)31(45-19)46-35-18-9-13(38)4-6-16(18)21-23-22(29(42)34(30(23)43)32-10-14-2-1-7-44-14)20-15-5-3-12(37)8-17(15)33-24(20)25(21)35/h1-9,19,26-28,31-33,36-41H,10-11H2/t19-,26-,27+,28-,31+/m1/s1
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n/an/an/an/a 180n/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inhibition of DNA topoisomerase 1 in mouse P388/S cells assessed as formation of topoisomerase 1-DNA complex by protinase K/SDS method


Citation and Details
More data for this
Ligand-Target Pair
DNA topoisomerase I


(Mus musculus)
BDBM50249675
PNG
(2,10-Dihydroxy-6-[(pyrazin-2-ylmethyl)amino]-13-(b...)
Show SMILES OC[C@H]1O[C@@H](On2c3cc(O)ccc3c3c4C(=O)N(NCc5cnccn5)C(=O)c4c4c5ccc(O)cc5[nH]c4c23)[C@H](O)[C@@H](O)[C@@H]1O
Show InChI InChI=1S/C31H26N6O10/c38-11-19-26(41)27(42)28(43)31(46-19)47-37-18-8-14(40)2-4-16(18)21-23-22(20-15-3-1-13(39)7-17(15)35-24(20)25(21)37)29(44)36(30(23)45)34-10-12-9-32-5-6-33-12/h1-9,19,26-28,31,34-35,38-43H,10-11H2/t19-,26-,27+,28-,31+/m1/s1
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n/an/an/an/a 210n/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inhibition of DNA topoisomerase 1 in mouse P388/S cells assessed as formation of topoisomerase 1-DNA complex by protinase K/SDS method


Citation and Details
More data for this
Ligand-Target Pair
DNA topoisomerase I


(Mus musculus)
BDBM50249687
PNG
(2,10-Dihydroxy-6-{[3-(hydroxymethyl)benzyl]amino}-...)
Show SMILES OC[C@H]1O[C@@H](On2c3cc(O)ccc3c3c4C(=O)N(NCc5cccc(CO)c5)C(=O)c4c4c5ccc(O)cc5[nH]c4c23)[C@H](O)[C@@H](O)[C@@H]1O
Show InChI InChI=1S/C34H30N4O11/c39-12-15-3-1-2-14(8-15)11-35-37-32(46)25-23-18-6-4-16(41)9-20(18)36-27(23)28-24(26(25)33(37)47)19-7-5-17(42)10-21(19)38(28)49-34-31(45)30(44)29(43)22(13-40)48-34/h1-10,22,29-31,34-36,39-45H,11-13H2/t22-,29-,30+,31-,34+/m1/s1
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n/an/an/an/a 220n/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inhibition of DNA topoisomerase 1 in mouse P388/S cells assessed as formation of topoisomerase 1-DNA complex by protinase K/SDS method


Citation and Details
More data for this
Ligand-Target Pair
DNA topoisomerase I


(Mus musculus)
BDBM50249672
PNG
(2,10-Dihydroxy-6-[(pyridin-2-ylmethyl)amino]-13-(b...)
Show SMILES OC[C@H]1O[C@@H](On2c3cc(O)ccc3c3c4C(=O)N(NCc5ccccn5)C(=O)c4c4c5ccc(O)cc5[nH]c4c23)[C@H](O)[C@@H](O)[C@@H]1O
Show InChI InChI=1S/C32H27N5O10/c38-12-20-27(41)28(42)29(43)32(46-20)47-37-19-10-15(40)5-7-17(19)22-24-23(21-16-6-4-14(39)9-18(16)35-25(21)26(22)37)30(44)36(31(24)45)34-11-13-3-1-2-8-33-13/h1-10,20,27-29,32,34-35,38-43H,11-12H2/t20-,27-,28+,29-,32+/m1/s1
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n/an/an/an/a 800n/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inhibition of DNA topoisomerase 1 in mouse P388/S cells assessed as formation of topoisomerase 1-DNA complex by protinase K/SDS method


Citation and Details
More data for this
Ligand-Target Pair
DNA topoisomerase I


(Mus musculus)
BDBM50249683
PNG
(2,10-Dihydroxy-6-[(4-cyanobenzyl)amino]-13-(beta-D...)
Show SMILES OC[C@H]1O[C@@H](On2c3cc(O)ccc3c3c4C(=O)N(NCc5ccc(cc5)C#N)C(=O)c4c4c5ccc(O)cc5[nH]c4c23)[C@H](O)[C@@H](O)[C@@H]1O
Show InChI InChI=1S/C34H27N5O10/c35-11-14-1-3-15(4-2-14)12-36-38-32(46)25-23-18-7-5-16(41)9-20(18)37-27(23)28-24(26(25)33(38)47)19-8-6-17(42)10-21(19)39(28)49-34-31(45)30(44)29(43)22(13-40)48-34/h1-10,22,29-31,34,36-37,40-45H,12-13H2/t22-,29-,30+,31-,34+/m1/s1
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n/an/an/an/a 1.70E+3n/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inhibition of DNA topoisomerase 1 in mouse P388/S cells assessed as formation of topoisomerase 1-DNA complex by protinase K/SDS method


Citation and Details
More data for this
Ligand-Target Pair
DNA topoisomerase I


(Mus musculus)
BDBM50249676
PNG
(2,10-Dihydroxy-6-[(quinolin-2-ylmethyl)amino]-13-(...)
Show SMILES OC[C@H]1O[C@@H](On2c3cc(O)ccc3c3c4C(=O)N(NCc5ccc6ccccc6n5)C(=O)c4c4c5ccc(O)cc5[nH]c4c23)[C@H](O)[C@@H](O)[C@@H]1O
Show InChI InChI=1S/C36H29N5O10/c42-14-24-31(45)32(46)33(47)36(50-24)51-41-23-12-18(44)8-10-20(23)26-28-27(25-19-9-7-17(43)11-22(19)39-29(25)30(26)41)34(48)40(35(28)49)37-13-16-6-5-15-3-1-2-4-21(15)38-16/h1-12,24,31-33,36-37,39,42-47H,13-14H2/t24-,31-,32+,33-,36+/m1/s1
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n/an/an/an/a 1.80E+3n/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inhibition of DNA topoisomerase 1 in mouse P388/S cells assessed as formation of topoisomerase 1-DNA complex by protinase K/SDS method


Citation and Details
More data for this
Ligand-Target Pair
DNA topoisomerase I


(Mus musculus)
BDBM50249681
PNG
(2,10-Dihydroxy-6-[(4-nitrolbenzyl)amino]-13-(beta-...)
Show SMILES OC[C@H]1O[C@@H](On2c3cc(O)ccc3c3c4C(=O)N(NCc5ccc(cc5)[N+]([O-])=O)C(=O)c4c4c5ccc(O)cc5[nH]c4c23)[C@H](O)[C@@H](O)[C@@H]1O
Show InChI InChI=1S/C33H27N5O12/c39-12-21-28(42)29(43)30(44)33(49-21)50-37-20-10-16(41)6-8-18(20)23-25-24(22-17-7-5-15(40)9-19(17)35-26(22)27(23)37)31(45)36(32(25)46)34-11-13-1-3-14(4-2-13)38(47)48/h1-10,21,28-30,33-35,39-44H,11-12H2/t21-,28-,29+,30-,33+/m1/s1
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n/an/an/an/a 6.00E+3n/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inhibition of DNA topoisomerase 1 in mouse P388/S cells assessed as formation of topoisomerase 1-DNA complex by protinase K/SDS method


Citation and Details
More data for this
Ligand-Target Pair
DNA topoisomerase I


(Mus musculus)
BDBM50249671
PNG
(2,10-Dihydroxy-6-[(1H-pyrrol-2-ylmethyl)amino]-13-...)
Show SMILES OC[C@H]1O[C@@H](On2c3cc(O)ccc3c3c4C(=O)N(NCc5ccc[nH]5)C(=O)c4c4c5ccc(O)cc5[nH]c4c23)[C@H](O)[C@@H](O)[C@@H]1O
Show InChI InChI=1S/C31H27N5O10/c37-11-19-26(40)27(41)28(42)31(45-19)46-36-18-9-14(39)4-6-16(18)21-23-22(29(43)35(30(23)44)33-10-12-2-1-7-32-12)20-15-5-3-13(38)8-17(15)34-24(20)25(21)36/h1-9,19,26-28,31-34,37-42H,10-11H2/t19-,26-,27+,28-,31+/m1/s1
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n/an/an/an/a 6.50E+3n/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inhibition of DNA topoisomerase 1 in mouse P388/S cells assessed as formation of topoisomerase 1-DNA complex by protinase K/SDS method


Citation and Details
More data for this
Ligand-Target Pair
DNA topoisomerase I


(Mus musculus)
BDBM50249678
PNG
(2,10-Dihydroxy-6-[(quinolin-4-ylmethyl)amino]-13-(...)
Show SMILES OC[C@H]1O[C@@H](On2c3cc(O)ccc3c3c4C(=O)N(NCc5ccnc6ccccc56)C(=O)c4c4c5ccc(O)cc5[nH]c4c23)[C@H](O)[C@@H](O)[C@@H]1O
Show InChI InChI=1S/C36H29N5O10/c42-14-24-31(45)32(46)33(47)36(50-24)51-41-23-12-17(44)6-8-20(23)26-28-27(25-19-7-5-16(43)11-22(19)39-29(25)30(26)41)34(48)40(35(28)49)38-13-15-9-10-37-21-4-2-1-3-18(15)21/h1-12,24,31-33,36,38-39,42-47H,13-14H2/t24-,31-,32+,33-,36+/m1/s1
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n/an/an/an/a 1.00E+4n/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inhibition of DNA topoisomerase 1 in mouse P388/S cells assessed as formation of topoisomerase 1-DNA complex by protinase K/SDS method


Citation and Details
More data for this
Ligand-Target Pair
DNA topoisomerase I


(Mus musculus)
BDBM50249682
PNG
(2,10-Dihydroxy-6-[(4-bromobenzyl)amino]-13-(beta-D...)
Show SMILES OC[C@H]1O[C@@H](On2c3cc(O)ccc3c3c4C(=O)N(NCc5ccc(Br)cc5)C(=O)c4c4c5ccc(O)cc5[nH]c4c23)[C@H](O)[C@@H](O)[C@@H]1O
Show InChI InChI=1S/C33H27BrN4O10/c34-14-3-1-13(2-4-14)11-35-37-31(45)24-22-17-7-5-15(40)9-19(17)36-26(22)27-23(25(24)32(37)46)18-8-6-16(41)10-20(18)38(27)48-33-30(44)29(43)28(42)21(12-39)47-33/h1-10,21,28-30,33,35-36,39-44H,11-12H2/t21-,28-,29+,30-,33+/m1/s1
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n/an/an/an/a 1.00E+4n/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inhibition of DNA topoisomerase 1 in mouse P388/S cells assessed as formation of topoisomerase 1-DNA complex by protinase K/SDS method


Citation and Details
More data for this
Ligand-Target Pair
DNA topoisomerase I


(Mus musculus)
BDBM50249680
PNG
(2,10-Dihydroxy-6-[(4-methylbenzyl)amino]-13-(beta-...)
Show SMILES Cc1ccc(CNN2C(=O)c3c(C2=O)c2c4ccc(O)cc4n(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)c2c2[nH]c4cc(O)ccc4c32)cc1
Show InChI InChI=1S/C34H30N4O10/c1-14-2-4-15(5-3-14)12-35-37-32(45)25-23-18-8-6-16(40)10-20(18)36-27(23)28-24(26(25)33(37)46)19-9-7-17(41)11-21(19)38(28)48-34-31(44)30(43)29(42)22(13-39)47-34/h2-11,22,29-31,34-36,39-44H,12-13H2,1H3/t22-,29-,30+,31-,34+/m1/s1
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n/an/an/an/a>1.00E+4n/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inhibition of DNA topoisomerase 1 in mouse P388/S cells assessed as formation of topoisomerase 1-DNA complex by protinase K/SDS method


Citation and Details
More data for this
Ligand-Target Pair
DNA topoisomerase I


(Mus musculus)
BDBM50249677
PNG
(2,10-Dihydroxy-6-[(quinolin-3-ylmethyl)amino]-13-(...)
Show SMILES OC[C@H]1O[C@@H](On2c3cc(O)ccc3c3c4C(=O)N(NCc5cnc6ccccc6c5)C(=O)c4c4c5ccc(O)cc5[nH]c4c23)[C@H](O)[C@@H](O)[C@@H]1O
Show InChI InChI=1S/C36H29N5O10/c42-14-24-31(45)32(46)33(47)36(50-24)51-41-23-11-18(44)6-8-20(23)26-28-27(25-19-7-5-17(43)10-22(19)39-29(25)30(26)41)34(48)40(35(28)49)38-13-15-9-16-3-1-2-4-21(16)37-12-15/h1-12,24,31-33,36,38-39,42-47H,13-14H2/t24-,31-,32+,33-,36+/m1/s1
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n/an/an/an/a>1.00E+4n/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inhibition of DNA topoisomerase 1 in mouse P388/S cells assessed as formation of topoisomerase 1-DNA complex by protinase K/SDS method


Citation and Details
More data for this
Ligand-Target Pair
DNA topoisomerase I


(Mus musculus)
BDBM50249673
PNG
(2,10-Dihydroxy-6-[(pyridin-3-ylmethyl)amino]-13-(b...)
Show SMILES OC[C@H]1O[C@@H](On2c3cc(O)ccc3c3c4C(=O)N(NCc5cccnc5)C(=O)c4c4c5ccc(O)cc5[nH]c4c23)[C@H](O)[C@@H](O)[C@@H]1O
Show InChI InChI=1S/C32H27N5O10/c38-12-20-27(41)28(42)29(43)32(46-20)47-37-19-9-15(40)4-6-17(19)22-24-23(21-16-5-3-14(39)8-18(16)35-25(21)26(22)37)30(44)36(31(24)45)34-11-13-2-1-7-33-10-13/h1-10,20,27-29,32,34-35,38-43H,11-12H2/t20-,27-,28+,29-,32+/m1/s1
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n/an/an/an/a>1.00E+4n/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inhibition of DNA topoisomerase 1 in mouse P388/S cells assessed as formation of topoisomerase 1-DNA complex by protinase K/SDS method


Citation and Details
More data for this
Ligand-Target Pair
DNA topoisomerase I


(Mus musculus)
BDBM50249693
PNG
(2,10-Dihydroxy-6-({[4-(hydroxymethyl)pyridin-3-yl]...)
Show SMILES OC[C@H]1O[C@@H](On2c3cc(O)ccc3c3c4C(=O)N(NCc5cnccc5CO)C(=O)c4c4c5ccc(O)cc5[nH]c4c23)[C@H](O)[C@@H](O)[C@@H]1O
Show InChI InChI=1S/C33H29N5O11/c39-11-13-5-6-34-9-14(13)10-35-37-31(46)24-22-17-3-1-15(41)7-19(17)36-26(22)27-23(25(24)32(37)47)18-4-2-16(42)8-20(18)38(27)49-33-30(45)29(44)28(43)21(12-40)48-33/h1-9,21,28-30,33,35-36,39-45H,10-12H2/t21-,28-,29+,30-,33+/m1/s1
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n/an/an/an/a>1.00E+4n/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inhibition of DNA topoisomerase 1 in mouse P388/S cells assessed as formation of topoisomerase 1-DNA complex by protinase K/SDS method


Citation and Details
More data for this
Ligand-Target Pair
DNA topoisomerase I


(Mus musculus)
BDBM50249688
PNG
(2,10-Dihydroxy-6-{[2-(hydroxymethyl)benzyl]amino}-...)
Show SMILES OC[C@H]1O[C@@H](On2c3cc(O)ccc3c3c4C(=O)N(NCc5ccccc5CO)C(=O)c4c4c5ccc(O)cc5[nH]c4c23)[C@H](O)[C@@H](O)[C@@H]1O
Show InChI InChI=1S/C34H30N4O11/c39-12-15-4-2-1-3-14(15)11-35-37-32(46)25-23-18-7-5-16(41)9-20(18)36-27(23)28-24(26(25)33(37)47)19-8-6-17(42)10-21(19)38(28)49-34-31(45)30(44)29(43)22(13-40)48-34/h1-10,22,29-31,34-36,39-45H,11-13H2/t22-,29-,30+,31-,34+/m1/s1
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n/an/an/an/a 24n/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inhibition of DNA topoisomerase 1 in mouse P388/S cells assessed as formation of topoisomerase 1-DNA complex by protinase K/SDS method


Citation and Details
More data for this
Ligand-Target Pair