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Compile Data Set for Download or QSAR

Found 289 hits Enz. Inhib. hit(s) with Target = 'Topoisomerase II alpha (HuTopoIIα)' AND taxid = 9606   
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
Topoisomerase II alpha (HuTopoIIα)


(Homo sapiens (Human))
BDBM50357677
PNG
(CHEMBL1914951)
Show SMILES CC(C)(C)Nc1c(nc2ccccn12)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C18H19N3O2/c1-18(2,3)20-16-15(19-14-6-4-5-11-21(14)16)12-7-9-13(10-8-12)17(22)23/h4-11,20H,1-3H3,(H,22,23)
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7.50E+4n/an/an/an/an/an/an/an/a



National Institute of Pharmaceutical Education and Research (NIPER)

Curated by ChEMBL


Assay Description
Competitive inhibition of human topoisomerase-2 alpha-ATPase activity by Lineweaver-Burk assay in presence of 200 to 520 uM ATP


Citation and Details
More data for this
Ligand-Target Pair
Topoisomerase II alpha (HuTopoIIα)


(Homo sapiens (Human))
BDBM50123623
PNG
((R)-13-(3-aminopyrrolidin-1-yl)-12-fluoro-10-oxo-1...)
Show SMILES N[C@@H]1CCN(C1)c1c(F)cc2c3c1oc1c4ccc5ccccc5c4ccc1n3cc(C(O)=O)c2=O
Show InChI InChI=1S/C28H20FN3O4/c29-21-11-19-23-27(24(21)31-10-9-15(30)12-31)36-26-18-6-5-14-3-1-2-4-16(14)17(18)7-8-22(26)32(23)13-20(25(19)33)28(34)35/h1-8,11,13,15H,9-10,12,30H2,(H,34,35)/t15-/m1/s1
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n/an/a 60n/an/an/an/an/an/a



Universit£ de Toulouse

Curated by ChEMBL


Assay Description
Induction of poison effect at DNA topoisomerase 2 by G-quadruplex interaction polymerase stop assay


Citation and Details
More data for this
Ligand-Target Pair
Topoisomerase II alpha (HuTopoIIα)


(Homo sapiens (Human))
BDBM50123624
PNG
((S)-13-(3-aminopyrrolidin-1-yl)-12-fluoro-10-oxo-1...)
Show SMILES N[C@H]1CCN(C1)c1c(F)cc2c3c1oc1c4ccc5ccccc5c4ccc1n3cc(C(O)=O)c2=O
Show InChI InChI=1S/C28H20FN3O4/c29-21-11-19-23-27(24(21)31-10-9-15(30)12-31)36-26-18-6-5-14-3-1-2-4-16(14)17(18)7-8-22(26)32(23)13-20(25(19)33)28(34)35/h1-8,11,13,15H,9-10,12,30H2,(H,34,35)/t15-/m0/s1
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n/an/a 700n/an/an/an/an/an/a



Universit£ de Toulouse

Curated by ChEMBL


Assay Description
Induction of poison effect at DNA topoisomerase 2 by G-quadruplex interaction polymerase stop assay


Citation and Details
More data for this
Ligand-Target Pair
Topoisomerase II alpha (HuTopoIIα)


(Homo sapiens (Human))
BDBM50139117
PNG
(CHEMBL3759668)
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n/an/a 900n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Topoisomerase II alpha (HuTopoIIα)


(Homo sapiens (Human))
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 1.00E+3n/an/an/an/an/an/a



Kumamoto University

Curated by ChEMBL


Assay Description
Inhibition human placenta topoisomerase 2 assessed as conversion of catenated kinetoplast DNA to minicircle monomer


J Nat Prod 64: 204-7 (2001)

More data for this
Ligand-Target Pair
Topoisomerase II alpha (HuTopoIIα)


(Homo sapiens (Human))
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 1.00E+3n/an/an/an/an/an/a



Kumamoto University

Curated by ChEMBL


Assay Description
Inhibition human placenta topoisomerase 2 assessed as conversion of supercoiled pBR322 DNA to relaxed form


J Nat Prod 64: 204-7 (2001)

More data for this
Ligand-Target Pair
Topoisomerase II alpha (HuTopoIIα)


(Homo sapiens (Human))
BDBM50349933
PNG
(CHEMBL1812144)
Show SMILES ClC1=C2OC=C(CC=C)c3cccc(C(=O)C1=O)c23
Show InChI InChI=1S/C15H9ClO3/c1-2-4-8-7-19-15-11-9(8)5-3-6-10(11)13(17)14(18)12(15)16/h2-3,5-7H,1,4H2
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n/an/a 1.54E+3n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of human topoisomerase 2 alpha-mediated relaxation of supercoiled pBR322 DNA after 30 mins by agarose gel electrophoresis


Citation and Details
More data for this
Ligand-Target Pair
Topoisomerase II alpha (HuTopoIIα)


(Homo sapiens (Human))
BDBM50295258
PNG
(CHEMBL571444 | N2-(benzo[d]thiazol-6-yl)-N6-tert-b...)
Show SMILES CC(C)(C)Nc1nc(Nc2ccc3ncsc3c2)nc2nc[nH]c12
Show InChI InChI=1S/C16H17N7S/c1-16(2,3)23-14-12-13(18-7-17-12)21-15(22-14)20-9-4-5-10-11(6-9)24-8-19-10/h4-8H,1-3H3,(H3,17,18,20,21,22,23)
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n/an/a 1.70E+3n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of ATPase activity of human topoisomerase 2 alpha


Citation and Details
More data for this
Ligand-Target Pair
Topoisomerase II alpha (HuTopoIIα)


(Homo sapiens (Human))
BDBM50349934
PNG
(CHEMBL1812139)
Show SMILES CC1COC2=CC(=O)C(=O)c3cccc1c23
Show InChI InChI=1S/C13H10O3/c1-7-6-16-11-5-10(14)13(15)9-4-2-3-8(7)12(9)11/h2-5,7H,6H2,1H3
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n/an/a 1.88E+3n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of human topoisomerase 2 alpha-mediated relaxation of supercoiled pBR322 DNA after 30 mins by agarose gel electrophoresis


Citation and Details
More data for this
Ligand-Target Pair
Topoisomerase II alpha (HuTopoIIα)


(Homo sapiens (Human))
BDBM81544
PNG
(BNS-22)
Show SMILES CCCc1cc(=O)oc2c(C(=O)N3CCCc4ccccc34)c(OC)cc(OC)c12
Show InChI InChI=1S/C24H25NO5/c1-4-8-16-13-20(26)30-23-21(16)18(28-2)14-19(29-3)22(23)24(27)25-12-7-10-15-9-5-6-11-17(15)25/h5-6,9,11,13-14H,4,7-8,10,12H2,1-3H3
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n/an/a 2.80E+3n/an/an/an/a7.54



RIKEN Advanced Science Institute



Assay Description
In vitro inhibition of TOP2 alpha activity by BNS derivatives.


Citation and Details
More data for this
Ligand-Target Pair
Topoisomerase II alpha (HuTopoIIα)


(Homo sapiens (Human))
BDBM50004233
PNG
(5,11-dimethyl-2H-pyrido[4,3-b]carbazole | CHEMBL12...)
Show SMILES Cc1c2[nH]c3ccccc3c2c(C)c2cnccc12
Show InChI InChI=1S/C17H14N2/c1-10-14-9-18-8-7-12(14)11(2)17-16(10)13-5-3-4-6-15(13)19-17/h3-9,19H,1-2H3
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n/an/a 3.30E+3n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of topoisomerase 2


Citation and Details
Checked by Author
More data for this
Ligand-Target Pair
Topoisomerase II alpha (HuTopoIIα)


(Homo sapiens (Human))
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 4.00E+3n/an/an/an/an/an/a



Kumamoto University

Curated by ChEMBL


Assay Description
Inhibition human placenta topoisomerase 2 assessed as conversion of catenated kinetoplast DNA to minicircle monomer


J Nat Prod 64: 204-7 (2001)

More data for this
Ligand-Target Pair
Topoisomerase II alpha (HuTopoIIα)


(Homo sapiens (Human))
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 4.00E+3n/an/an/an/an/an/a



Kumamoto University

Curated by ChEMBL


Assay Description
Inhibition human placenta topoisomerase 2 assessed as conversion of supercoiled pBR322 DNA to relaxed form


J Nat Prod 64: 204-7 (2001)

More data for this
Ligand-Target Pair
Topoisomerase II alpha (HuTopoIIα)


(Homo sapiens (Human))
BDBM50400785
PNG
(CHEMBL449350)
Show SMILES CC(C)C(=C)CCC([C@H]1CC[C@@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)C3=CC[C@]12C)C(O)=O
Show InChI InChI=1S/C31H46O3/c1-19(2)20(3)9-10-21(27(33)34)22-13-17-31(8)24-11-12-25-28(4,5)26(32)15-16-29(25,6)23(24)14-18-30(22,31)7/h11,14,19,21-22,25H,3,9-10,12-13,15-18H2,1-2,4-8H3,(H,33,34)/t21?,22-,25+,29-,30-,31+/m1/s1
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n/an/a 4.60E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of topoisomerase 2


Citation and Details
More data for this
Ligand-Target Pair
Topoisomerase II alpha (HuTopoIIα)


(Homo sapiens (Human))
BDBM50183475
PNG
(5-(3-Amino-propylamino)-7,10-dihydroxy-2-[2-(2-hyd...)
Show SMILES NCCCNc1ccc2n(CCNCCO)nc3-c4c(O)ccc(O)c4C(=O)c1c23
Show InChI InChI=1S/C21H25N5O4/c22-6-1-7-24-12-2-3-13-17-16(12)21(30)19-15(29)5-4-14(28)18(19)20(17)25-26(13)10-8-23-9-11-27/h2-5,23-24,27-29H,1,6-11,22H2
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n/an/a 4.60E+3n/an/an/an/an/an/a



University of Manitoba

Curated by ChEMBL


Assay Description
Inhibition of human topoisomerase 2alpha decantation activity


Citation and Details
More data for this
Ligand-Target Pair
Topoisomerase II alpha (HuTopoIIα)


(Homo sapiens (Human))
BDBM50349932
PNG
(CHEMBL1812137)
Show SMILES OC1(Cc2ccccc2)COC2=CC(=O)C(=O)c3cccc1c23
Show InChI InChI=1S/C19H14O4/c20-15-9-16-17-13(18(15)21)7-4-8-14(17)19(22,11-23-16)10-12-5-2-1-3-6-12/h1-9,22H,10-11H2
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n/an/a 4.88E+3n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of human topoisomerase 2 alpha-mediated relaxation of supercoiled pBR322 DNA after 30 mins by agarose gel electrophoresis


Citation and Details
More data for this
Ligand-Target Pair
Topoisomerase II alpha (HuTopoIIα)


(Homo sapiens (Human))
BDBM67690
PNG
(1,4-bis[2-(2-hydroxyethylamino)ethylamino]-5,8-bis...)
Show SMILES OCCNCCNc1ccc(NCCNCCO)c2C(=O)c3c(O)ccc(O)c3C(=O)c12
Show InChI InChI=1S/C22H28N4O6/c27-11-9-23-5-7-25-13-1-2-14(26-8-6-24-10-12-28)18-17(13)21(31)19-15(29)3-4-16(30)20(19)22(18)32/h1-4,23-30H,5-12H2
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n/an/a 5.30E+3n/an/an/an/an/an/a



University of Manitoba

Curated by ChEMBL


Assay Description
Inhibition of human topoisomerase 2alpha decantation activity


Citation and Details
More data for this
Ligand-Target Pair
Topoisomerase II alpha (HuTopoIIα)


(Homo sapiens (Human))
BDBM50298272
PNG
(CHEMBL575610 | N,N'-Bis(2-((2-(7-chloro-6-oxo-6H-d...)
Show SMILES CN(CCNC(=O)CCC(=O)NCCN(C)CCn1nc2-c3cccc(Cl)c3C(=O)c3cccc1c23)CCn1nc2-c3cccc(Cl)c3C(=O)c3cccc1c23
Show InChI InChI=1S/C42H40Cl2N8O4/c1-49(21-23-51-31-13-5-9-27-37(31)39(47-51)25-7-3-11-29(43)35(25)41(27)55)19-17-45-33(53)15-16-34(54)46-18-20-50(2)22-24-52-32-14-6-10-28-38(32)40(48-52)26-8-4-12-30(44)36(26)42(28)56/h3-14H,15-24H2,1-2H3,(H,45,53)(H,46,54)
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n/an/a 7.00E+3n/an/an/an/an/an/a



University of Manitoba

Curated by ChEMBL


Assay Description
Inhibition of decatenation activity of human topoisomerase 2alpha


Citation and Details
More data for this
Ligand-Target Pair
Topoisomerase II alpha (HuTopoIIα)


(Homo sapiens (Human))
BDBM50251129
PNG
(7-Chloro-2-{2-[(2-hydroxy-ethyl)-methyl-amino]-eth...)
Show SMILES CN(CCO)CCn1nc2-c3cccc(Cl)c3C(=O)c3cccc1c23
Show InChI InChI=1S/C19H18ClN3O2/c1-22(10-11-24)8-9-23-15-7-3-5-13-17(15)18(21-23)12-4-2-6-14(20)16(12)19(13)25/h2-7,24H,8-11H2,1H3
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n/an/a 7.20E+3n/an/an/an/an/an/a



University of Manitoba

Curated by ChEMBL


Assay Description
Inhibition of human topoisomerase 2alpha decantation activity


Citation and Details
More data for this
Ligand-Target Pair
Topoisomerase II alpha (HuTopoIIα)


(Homo sapiens (Human))
BDBM50240660
PNG
(7-Hydroxy-2-[2-(2-hydroxy-ethylamino)-ethyl]-5-[2-...)
Show SMILES OCCNCCNc1ccc2n(CCNCCO)nc3-c4cccc(O)c4C(=O)c1c23
Show InChI InChI=1S/C22H27N5O4/c28-12-9-23-6-7-25-15-4-5-16-20-19(15)22(31)18-14(2-1-3-17(18)30)21(20)26-27(16)11-8-24-10-13-29/h1-5,23-25,28-30H,6-13H2
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n/an/a 7.30E+3n/an/an/an/an/an/a



University of Manitoba

Curated by ChEMBL


Assay Description
Inhibition of human topoisomerase 2alpha decantation activity


Citation and Details
More data for this
Ligand-Target Pair
Topoisomerase II alpha (HuTopoIIα)


(Homo sapiens (Human))
BDBM81549
PNG
(BNS-65)
Show SMILES COC(=O)Cc1cc(=O)oc2c(C(=O)N3CCCc4ccccc34)c(OC)cc(OC)c12
Show InChI InChI=1S/C24H23NO7/c1-29-17-13-18(30-2)22(23-21(17)15(11-19(26)31-3)12-20(27)32-23)24(28)25-10-6-8-14-7-4-5-9-16(14)25/h4-5,7,9,12-13H,6,8,10-11H2,1-3H3
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n/an/a 8.20E+3n/an/an/an/a7.54



RIKEN Advanced Science Institute



Assay Description
In vitro inhibition of TOP2 alpha activity by BNS derivatives.


Citation and Details
More data for this
Ligand-Target Pair
Topoisomerase II alpha (HuTopoIIα)


(Homo sapiens (Human))
BDBM50251127
PNG
(Bis(2-((2-(7-chloro-6-oxo-6H-dibenzo[cd,g]indazol-...)
Show SMILES CN(CCOC(=O)CCCCC(=O)OCCN(C)CCn1nc2-c3cccc(Cl)c3C(=O)c3cccc1c23)CCn1nc2-c3cccc(Cl)c3C(=O)c3cccc1c23
Show InChI InChI=1S/C44H42Cl2N6O6/c1-49(19-21-51-33-15-7-11-29-39(33)41(47-51)27-9-5-13-31(45)37(27)43(29)55)23-25-57-35(53)17-3-4-18-36(54)58-26-24-50(2)20-22-52-34-16-8-12-30-40(34)42(48-52)28-10-6-14-32(46)38(28)44(30)56/h5-16H,3-4,17-26H2,1-2H3
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n/an/a 8.40E+3n/an/an/an/an/an/a



University of Manitoba

Curated by ChEMBL


Assay Description
Inhibition of human topoisomerase 2alpha decantation activity


Citation and Details
More data for this
Ligand-Target Pair
Topoisomerase II alpha (HuTopoIIα)


(Homo sapiens (Human))
BDBM50295259
PNG
(CHEMBL549357 | N2-(benzo[d]thiazol-6-yl)-N6-cycloh...)
Show SMILES C1CCCC(CC1)Nc1nc(Nc2ccc3ncsc3c2)nc2nc[nH]c12
Show InChI InChI=1S/C19H21N7S/c1-2-4-6-12(5-3-1)23-18-16-17(21-10-20-16)25-19(26-18)24-13-7-8-14-15(9-13)27-11-22-14/h7-12H,1-6H2,(H3,20,21,23,24,25,26)
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n/an/a 8.40E+3n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of ATPase activity of human topoisomerase 2 alpha


Citation and Details
More data for this
Ligand-Target Pair
Topoisomerase II alpha (HuTopoIIα)


(Homo sapiens (Human))
BDBM50269149
PNG
(3alpha,27-dihydroxylup-20(29)-en-28-oic acid methy...)
Show SMILES COC(=O)[C@]12CC[C@H]([C@@H]1[C@H]1CC[C@@H]3[C@@]4(C)CC[C@@H](O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(CO)CC2)C(C)=C
Show InChI InChI=1S/C31H50O4/c1-19(2)20-10-15-30(26(34)35-7)16-17-31(18-32)21(25(20)30)8-9-23-28(5)13-12-24(33)27(3,4)22(28)11-14-29(23,31)6/h20-25,32-33H,1,8-18H2,2-7H3/t20-,21+,22-,23+,24+,25+,28-,29+,30-,31-/m0/s1
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n/an/a 8.90E+3n/an/an/an/an/an/a



Toho University

Curated by ChEMBL


Assay Description
Inhibition of human topoisomerase 2


J Nat Prod 63: 390-2 (2000)

More data for this
Ligand-Target Pair
Topoisomerase II alpha (HuTopoIIα)


(Homo sapiens (Human))
BDBM87351
PNG
(Amsacrine hydrochloride | CHEMBL43 | MLS002153376 ...)
Show SMILES COc1cc(NS(C)(=O)=O)ccc1Nc1c2ccccc2nc2ccccc12
Show InChI InChI=1S/C21H19N3O3S/c1-27-20-13-14(24-28(2,25)26)11-12-19(20)23-21-15-7-3-5-9-17(15)22-18-10-6-4-8-16(18)21/h3-13,24H,1-2H3,(H,22,23)
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n/an/a 9.94E+3n/an/an/an/an/an/a



Universidad Nacional Autónoma de México

Curated by ChEMBL


Assay Description
Inhibition of human DNA topoisomerase 2-mediated Crithidia fasciculata kDNA decatenation using ethidium bromide staining by agarose gel electrophores...


Citation and Details
More data for this
Ligand-Target Pair
Topoisomerase II alpha (HuTopoIIα)


(Homo sapiens (Human))
BDBM50125944
PNG
(CHEMBL3627832)
Show SMILES Clc1ccc2c(c1)sc1c(nc3ccccc3c1c2=O)N1CCNCC1
Show InChI InChI=1S/C20H16ClN3OS/c21-12-5-6-14-16(11-12)26-19-17(18(14)25)13-3-1-2-4-15(13)23-20(19)24-9-7-22-8-10-24/h1-6,11,22H,7-10H2
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n/an/a 1.00E+4n/an/an/an/an/an/a



Taipei Medical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant topoisomerase 2 alpha assessed as blocking of supercoiled pHOT DNA relaxation incubated for 45 mins at 37 degC by eth...


Eur J Med Chem 103: 615-27 (2015)

More data for this
Ligand-Target Pair
Topoisomerase II alpha (HuTopoIIα)


(Homo sapiens (Human))
BDBM50251129
PNG
(7-Chloro-2-{2-[(2-hydroxy-ethyl)-methyl-amino]-eth...)
Show SMILES CN(CCO)CCn1nc2-c3cccc(Cl)c3C(=O)c3cccc1c23
Show InChI InChI=1S/C19H18ClN3O2/c1-22(10-11-24)8-9-23-15-7-3-5-13-17(15)18(21-23)12-4-2-6-14(20)16(12)19(13)25/h2-7,24H,8-11H2,1H3
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n/an/a 1.00E+4n/an/an/an/an/an/a



University of Manitoba

Curated by ChEMBL


Assay Description
Inhibition of decatenation activity of human topoisomerase 2alpha


Citation and Details
More data for this
Ligand-Target Pair
Topoisomerase II alpha (HuTopoIIα)


(Homo sapiens (Human))
BDBM50377927
PNG
(Clerodol | Fagarasterol | Farganasterol | LUPEOL |...)
Show SMILES CC(=C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]12
Show InChI InChI=1S/C30H50O/c1-19(2)20-11-14-27(5)17-18-29(7)21(25(20)27)9-10-23-28(6)15-13-24(31)26(3,4)22(28)12-16-30(23,29)8/h20-25,31H,1,9-18H2,2-8H3/t20-,21+,22-,23+,24-,25+,27+,28-,29+,30+/m0/s1
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n/an/a 1.04E+4n/an/an/an/an/an/a



Osaka University of Pharmaceutical Sciences

Curated by ChEMBL


Assay Description
Inhibition of human 1 unit topoisomerase 2alpha catalytic activity assessed as relaxation of 198 ng supercoiled pBR322 DNA by agarose gel electrophor...


J Nat Prod 64: 1545-7 (2001)

More data for this
Ligand-Target Pair
Topoisomerase II alpha (HuTopoIIα)


(Homo sapiens (Human))
BDBM50227946
PNG
(9-[[(3-N-methylamino)phenyl]amino]-2-(methylthio)-...)
Show SMILES CNc1cccc(Nc2c3nc(SC)sc3nc3ccccc23)c1
Show InChI InChI=1S/C18H16N4S2/c1-19-11-6-5-7-12(10-11)20-15-13-8-3-4-9-14(13)21-17-16(15)22-18(23-2)24-17/h3-10,19H,1-2H3,(H,20,21)
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n/an/a 1.23E+4n/an/an/an/an/an/a



Universidad Nacional Autónoma de México

Curated by ChEMBL


Assay Description
Inhibition of human DNA topoisomerase 2-mediated Crithidia fasciculata kDNA decatenation using ethidium bromide staining by agarose gel electrophores...


Citation and Details
More data for this
Ligand-Target Pair
Topoisomerase II alpha (HuTopoIIα)


(Homo sapiens (Human))
BDBM50372625
PNG
(CHEMBL406538)
Show SMILES NCCc1c([nH]c2cc(Br)ccc12)C(c1c[nH]c2ccccc12)c1[nH]c2cc(Br)ccc2c1CCNC(=O)C(F)(F)F
Show InChI InChI=1S/C31H26Br2F3N5O/c32-16-5-7-19-21(9-11-37)28(40-25(19)13-16)27(23-15-39-24-4-2-1-3-18(23)24)29-22(10-12-38-30(42)31(34,35)36)20-8-6-17(33)14-26(20)41-29/h1-8,13-15,27,39-41H,9-12,37H2,(H,38,42)
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n/an/a 1.30E+4n/an/an/an/an/an/a



Universit£ de Paris-sud 11

Curated by ChEMBL


Assay Description
Inhibition of topoisomerase 2 meadiated DNA relaxation


Citation and Details
More data for this
Ligand-Target Pair
Topoisomerase II alpha (HuTopoIIα)


(Homo sapiens (Human))
BDBM50140290
PNG
(4-(3-(3,5-dioxopiperazin-1-yl)butan-2-yl)piperazin...)
Show SMILES CC(C(C)N1CC(=O)NC(=O)C1)N1CC(=O)NC(=O)C1
Show InChI InChI=1S/C12H18N4O4/c1-7(15-3-9(17)13-10(18)4-15)8(2)16-5-11(19)14-12(20)6-16/h7-8H,3-6H2,1-2H3,(H,13,17,18)(H,14,19,20)
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n/an/a 1.39E+4n/an/an/an/an/an/a



Toho University

Curated by ChEMBL


Assay Description
Inhibition of human topoisomerase 2


J Nat Prod 63: 390-2 (2000)

More data for this
Ligand-Target Pair
Topoisomerase II alpha (HuTopoIIα)


(Homo sapiens (Human))
BDBM50227949
PNG
(2-(methylthio)-N-(3-(trifluoromethyl)phenyl)thiazo...)
Show SMILES CSc1nc2c(Nc3cccc(c3)C(F)(F)F)c3ccccc3nc2s1
Show InChI InChI=1S/C18H12F3N3S2/c1-25-17-24-15-14(12-7-2-3-8-13(12)23-16(15)26-17)22-11-6-4-5-10(9-11)18(19,20)21/h2-9H,1H3,(H,22,23)
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n/an/a 1.54E+4n/an/an/an/an/an/a



Universidad Nacional Autónoma de México

Curated by ChEMBL


Assay Description
Inhibition of human DNA topoisomerase 2-mediated Crithidia fasciculata kDNA decatenation using ethidium bromide staining by agarose gel electrophores...


Citation and Details
More data for this
Ligand-Target Pair
Topoisomerase II alpha (HuTopoIIα)


(Homo sapiens (Human))
BDBM50139117
PNG
(CHEMBL3759668)
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n/an/a 1.65E+4n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Topoisomerase II alpha (HuTopoIIα)


(Homo sapiens (Human))
BDBM50227939
PNG
(CHEMBL401886 | N1-(2-(methylthio)thiazolo[5,4-b]qu...)
Show SMILES CSc1nc2c(Nc3cccc(N)c3)c3ccccc3nc2s1
Show InChI InChI=1S/C17H14N4S2/c1-22-17-21-15-14(19-11-6-4-5-10(18)9-11)12-7-2-3-8-13(12)20-16(15)23-17/h2-9H,18H2,1H3,(H,19,20)
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n/an/a 1.67E+4n/an/an/an/an/an/a



Universidad Nacional Autónoma de México

Curated by ChEMBL


Assay Description
Inhibition of human DNA topoisomerase 2-mediated Crithidia fasciculata kDNA decatenation using ethidium bromide staining by agarose gel electrophores...


Citation and Details
More data for this
Ligand-Target Pair
Topoisomerase II alpha (HuTopoIIα)


(Homo sapiens (Human))
BDBM50381285
PNG
(CHEMBL1631256)
Show SMILES OC(=O)c1ccc2nc(C[n+]3ccccc3)[nH]c2c1
Show InChI InChI=1S/C14H11N3O2/c18-14(19)10-4-5-11-12(8-10)16-13(15-11)9-17-6-2-1-3-7-17/h1-8H,9H2,(H-,15,16,18,19)/p+1
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n/an/a 1.70E+4n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of topoisomerase 2


Citation and Details
More data for this
Ligand-Target Pair
Topoisomerase II alpha (HuTopoIIα)


(Homo sapiens (Human))
BDBM50356920
PNG
(CHEMBL1915761)
Show SMILES C[C@H](CCC=C(CO)CO)[C@H]1CC[C@@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)C3=CC[C@]12C
Show InChI InChI=1S/C30H46O3/c1-20(8-7-9-21(18-31)19-32)22-12-16-30(6)24-10-11-25-27(2,3)26(33)14-15-28(25,4)23(24)13-17-29(22,30)5/h9-10,13,20,22,25,31-32H,7-8,11-12,14-19H2,1-6H3/t20-,22-,25+,28-,29-,30+/m1/s1
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n/an/a 1.70E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of topoisomerase 2


Citation and Details
More data for this
Ligand-Target Pair
Topoisomerase II alpha (HuTopoIIα)


(Homo sapiens (Human))
BDBM50260250
PNG
(CHEMBL491188 | Olean-12-en-3beta,15alpha-diol)
Show SMILES CC1(C)CC[C@]2(C)C[C@H](O)[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1
Show InChI InChI=1S/C30H50O2/c1-25(2)15-16-27(5)18-24(32)30(8)19(20(27)17-25)9-10-22-28(6)13-12-23(31)26(3,4)21(28)11-14-29(22,30)7/h9,20-24,31-32H,10-18H2,1-8H3/t20-,21-,22+,23-,24-,27+,28-,29+,30-/m0/s1
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n/an/a 1.75E+4n/an/an/an/an/an/a



Osaka University of Pharmaceutical Sciences

Curated by ChEMBL


Assay Description
Inhibition of human 1 unit topoisomerase 2alpha catalytic activity assessed as relaxation of 198 ng supercoiled pBR322 DNA by agarose gel electrophor...


J Nat Prod 64: 1545-7 (2001)

More data for this
Ligand-Target Pair
Topoisomerase II alpha (HuTopoIIα)


(Homo sapiens (Human))
BDBM50250932
PNG
(CHEMBL465251 | demethylzeylasterone)
Show SMILES C[C@]12CC[C@](C)(C[C@H]1[C@]1(C)CC[C@]3(C)C(=CC(=O)c4c3cc(O)c(O)c4C(O)=O)[C@@]1(C)CC2)C(O)=O
Show InChI InChI=1S/C29H36O7/c1-25-6-7-26(2,24(35)36)14-19(25)29(5)11-9-27(3)15-12-17(31)22(32)21(23(33)34)20(15)16(30)13-18(27)28(29,4)10-8-25/h12-13,19,31-32H,6-11,14H2,1-5H3,(H,33,34)(H,35,36)/t19-,25-,26-,27+,28-,29+/m1/s1
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n/an/a 1.76E+4n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Inhibition of human topoisomerase 2 p170alpha assessed as relaxation of lambda ZAPII plasmid Bluescript KS+ DNA by SDS electrophoresis


J Nat Prod 64: 1294-6 (2001)

More data for this
Ligand-Target Pair
Topoisomerase II alpha (HuTopoIIα)


(Homo sapiens (Human))
BDBM50298277
PNG
(7-Chloro-[2-[(2-aminoethyl)methylamino]ethyl]anthr...)
Show SMILES CN(CCN)CCn1nc2-c3cccc(Cl)c3C(=O)c3cccc1c23
Show InChI InChI=1S/C19H19ClN4O/c1-23(9-8-21)10-11-24-15-7-3-5-13-17(15)18(22-24)12-4-2-6-14(20)16(12)19(13)25/h2-7H,8-11,21H2,1H3
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n/an/a 1.80E+4n/an/an/an/an/an/a



University of Manitoba

Curated by ChEMBL


Assay Description
Inhibition of decatenation activity of human topoisomerase 2alpha


Citation and Details
More data for this
Ligand-Target Pair
Topoisomerase II alpha (HuTopoIIα)


(Homo sapiens (Human))
BDBM50227955
PNG
((3-amino-5-(2-(methylthio)thiazolo[5,4-b]quinolin-...)
Show SMILES CSc1nc2c(Nc3cc(N)cc(CO)c3)c3ccccc3nc2s1
Show InChI InChI=1S/C18H16N4OS2/c1-24-18-22-16-15(20-12-7-10(9-23)6-11(19)8-12)13-4-2-3-5-14(13)21-17(16)25-18/h2-8,23H,9,19H2,1H3,(H,20,21)
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n/an/a 1.80E+4n/an/an/an/an/an/a



Universidad Nacional Autónoma de México

Curated by ChEMBL


Assay Description
Inhibition of human DNA topoisomerase 2-mediated Crithidia fasciculata kDNA decatenation using ethidium bromide staining by agarose gel electrophores...


Citation and Details
More data for this
Ligand-Target Pair
Topoisomerase II alpha (HuTopoIIα)


(Homo sapiens (Human))
BDBM50372627
PNG
(CHEMBL406537)
Show SMILES NCCc1c([nH]c2cc(Br)ccc12)C(c1cn(c2ccccc12)S(=O)(=O)c1ccccc1)c1[nH]c2cc(Br)ccc2c1CCNC(=O)C(F)(F)F
Show InChI InChI=1S/C37H30Br2F3N5O3S/c38-21-10-12-24-27(14-16-43)34(45-30(24)18-21)33(29-20-47(32-9-5-4-8-26(29)32)51(49,50)23-6-2-1-3-7-23)35-28(15-17-44-36(48)37(40,41)42)25-13-11-22(39)19-31(25)46-35/h1-13,18-20,33,45-46H,14-17,43H2,(H,44,48)
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n/an/a 1.90E+4n/an/an/an/an/an/a



Universit£ de Paris-sud 11

Curated by ChEMBL


Assay Description
Inhibition of topoisomerase 2 meadiated DNA relaxation


Citation and Details
More data for this
Ligand-Target Pair
Topoisomerase II alpha (HuTopoIIα)


(Homo sapiens (Human))
BDBM50376172
PNG
(CHEMBL261294)
Show SMILES CC(C)Cn1nc2c(n1)C(=O)c1cnncc1C2=O
Show InChI InChI=1S/C12H11N5O2/c1-6(2)5-17-15-9-10(16-17)12(19)8-4-14-13-3-7(8)11(9)18/h3-4,6H,5H2,1-2H3
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n/an/a 1.94E+4n/an/an/an/an/an/a



Ewha Womans University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant topoisomerase 2 by decatenation assay


Citation and Details
More data for this
Ligand-Target Pair
Topoisomerase II alpha (HuTopoIIα)


(Homo sapiens (Human))
BDBM50147398
PNG
(2-[2,4']Bibenzooxazolyl-2'-yl-phenol | CHEMBL32395...)
Show SMILES Oc1ccccc1-c1nc2c(cccc2o1)-c1nc2ccccc2o1
Show InChI InChI=1S/C20H12N2O3/c23-15-9-3-1-6-12(15)19-22-18-13(7-5-11-17(18)25-19)20-21-14-8-2-4-10-16(14)24-20/h1-11,23H
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n/an/a 2.00E+4n/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Inhibitory concentration against human DNA topoisomerase II, alpha mediated relaxation of pBR322


Citation and Details
More data for this
Ligand-Target Pair
Topoisomerase II alpha (HuTopoIIα)


(Homo sapiens (Human))
BDBM50147398
PNG
(2-[2,4']Bibenzooxazolyl-2'-yl-phenol | CHEMBL32395...)
Show SMILES Oc1ccccc1-c1nc2c(cccc2o1)-c1nc2ccccc2o1
Show InChI InChI=1S/C20H12N2O3/c23-15-9-3-1-6-12(15)19-22-18-13(7-5-11-17(18)25-19)20-21-14-8-2-4-10-16(14)24-20/h1-11,23H
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n/an/a 2.00E+4n/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Inhibitory activity of compound against human DNA topoisomerase II, alpha was evaluated by ability to interfere with the relaxation of supercoiled pl...


Citation and Details
More data for this
Ligand-Target Pair
Topoisomerase II alpha (HuTopoIIα)


(Homo sapiens (Human))
BDBM50227945
PNG
(9-[[(4-chloro)phenyl]amino]-2-(methylthio)thiazolo...)
Show SMILES CSc1nc2c(Nc3ccc(Cl)cc3)c3ccccc3nc2s1
Show InChI InChI=1S/C17H12ClN3S2/c1-22-17-21-15-14(19-11-8-6-10(18)7-9-11)12-4-2-3-5-13(12)20-16(15)23-17/h2-9H,1H3,(H,19,20)
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n/an/a 2.05E+4n/an/an/an/an/an/a



Universidad Nacional Autónoma de México

Curated by ChEMBL


Assay Description
Inhibition of human DNA topoisomerase 2-mediated Crithidia fasciculata kDNA decatenation using ethidium bromide staining by agarose gel electrophores...


Citation and Details
More data for this
Ligand-Target Pair
Topoisomerase II alpha (HuTopoIIα)


(Homo sapiens (Human))
BDBM50227938
PNG
(9-[[(3-chloro)phenyl]amino]-2-(methylthio)thiazolo...)
Show SMILES CSc1nc2c(Nc3cccc(Cl)c3)c3ccccc3nc2s1
Show InChI InChI=1S/C17H12ClN3S2/c1-22-17-21-15-14(19-11-6-4-5-10(18)9-11)12-7-2-3-8-13(12)20-16(15)23-17/h2-9H,1H3,(H,19,20)
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n/an/a 2.12E+4n/an/an/an/an/an/a



Universidad Nacional Autónoma de México

Curated by ChEMBL


Assay Description
Inhibition of human DNA topoisomerase 2-mediated Crithidia fasciculata kDNA decatenation using ethidium bromide staining by agarose gel electrophores...


Citation and Details
More data for this
Ligand-Target Pair
Topoisomerase II alpha (HuTopoIIα)


(Homo sapiens (Human))
BDBM50127140
PNG
((-)-etoposide | (5S,5aR,8aR,9R)-9-(4-hydroxy-3,5-d...)
Show SMILES COc1cc(cc(OC)c1O)[C@H]1[C@@H]2[C@H](COC2=O)[C@H](O[C@@H]2O[C@@H]3CO[C@@H](C)O[C@H]3[C@H](O)[C@H]2O)c2cc3OCOc3cc12
Show InChI InChI=1S/C29H32O13/c1-11-36-9-20-27(40-11)24(31)25(32)29(41-20)42-26-14-7-17-16(38-10-39-17)6-13(14)21(22-15(26)8-37-28(22)33)12-4-18(34-2)23(30)19(5-12)35-3/h4-7,11,15,20-22,24-27,29-32H,8-10H2,1-3H3/t11-,15+,20-,21-,22+,24-,25-,26-,27-,29+/m1/s1
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n/an/a 2.18E+4n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of topoisomerase 2


Citation and Details
More data for this
Ligand-Target Pair
Topoisomerase II alpha (HuTopoIIα)


(Homo sapiens (Human))
BDBM50298275
PNG
(CHEMBL575645 | N,N'-Bis(2-((2-(7-chloro-6-oxo-6H-d...)
Show SMILES CN(CCNC(=O)CCCCCC(=O)NCCN(C)CCn1nc2-c3cccc(Cl)c3C(=O)c3cccc1c23)CCn1nc2-c3cccc(Cl)c3C(=O)c3cccc1c23
Show InChI InChI=1S/C45H46Cl2N8O4/c1-52(24-26-54-34-16-8-12-30-40(34)42(50-54)28-10-6-14-32(46)38(28)44(30)58)22-20-48-36(56)18-4-3-5-19-37(57)49-21-23-53(2)25-27-55-35-17-9-13-31-41(35)43(51-55)29-11-7-15-33(47)39(29)45(31)59/h6-17H,3-5,18-27H2,1-2H3,(H,48,56)(H,49,57)
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n/an/a 2.20E+4n/an/an/an/an/an/a



University of Manitoba

Curated by ChEMBL


Assay Description
Inhibition of decatenation activity of human topoisomerase 2alpha


Citation and Details
More data for this
Ligand-Target Pair
Topoisomerase II alpha (HuTopoIIα)


(Homo sapiens (Human))
BDBM50369152
PNG
(CHEMBL1627911)
Show SMILES Cc1c2CN(C=Cc2c(C)c2[nH]c3ccccc3c12)C(=O)NCCCCCCNC(=O)C[C@]1(O)CC[C@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@]12C
Show InChI InChI=1S/C44H54N4O4/c1-27-36-26-48(23-18-31(36)28(2)41-40(27)35-10-6-7-11-38(35)47-41)42(51)46-22-9-5-4-8-21-45-39(50)25-44(52)20-17-37-34-14-12-29-24-30(49)13-15-32(29)33(34)16-19-43(37,44)3/h6-7,10-11,13,15,18,23-24,33-34,37,47,49,52H,4-5,8-9,12,14,16-17,19-22,25-26H2,1-3H3,(H,45,50)(H,46,51)/t33-,34-,37+,43+,44-/m1/s1
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n/an/a 2.41E+4n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibitory activity against topoisomerase II determined in catenation inhibition assay


Citation and Details
More data for this
Ligand-Target Pair
Topoisomerase II alpha (HuTopoIIα)


(Homo sapiens (Human))
BDBM50400784
PNG
(CHEMBL2205004)
Show SMILES C[C@H](CC\C=C(/C)C(O)=O)[C@H]1C[C@H](OC(C)=O)[C@@]2(C)C3=CC[C@H]4C(C)(C)[C@@H](O)CC[C@]4(C)C3=CC[C@]12C
Show InChI InChI=1S/C32H48O5/c1-19(10-9-11-20(2)28(35)36)24-18-27(37-21(3)33)32(8)23-12-13-25-29(4,5)26(34)15-16-30(25,6)22(23)14-17-31(24,32)7/h11-12,14,19,24-27,34H,9-10,13,15-18H2,1-8H3,(H,35,36)/b20-11+/t19-,24-,25+,26+,27+,30-,31-,32-/m1/s1
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n/an/a 2.50E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of topoisomerase 2a in human HuH7 cells


Citation and Details
More data for this
Ligand-Target Pair
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