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Compile Data Set for Download or QSAR

Found 1332 hits Enz. Inhib. hit(s) with Target = 'DNA topoisomerase II'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
DNA topoisomerase II


(Homo sapiens (Human))
BDBM21690
PNG
(1-cyclopropyl-6-fluoro-4-oxo-7-(piperazin-1-yl)-1,...)
Show SMILES OC(=O)c1cn(C2CC2)c2cc(N3CCNCC3)c(F)cc2c1=O
Show InChI InChI=1S/C17H18FN3O3/c18-13-7-11-14(8-15(13)20-5-3-19-4-6-20)21(10-1-2-10)9-12(16(11)22)17(23)24/h7-10,19H,1-6H2,(H,23,24)
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n/an/an/an/a 30n/an/an/an/a


TBA

Assay Description
Inhibitory activity against HeLa cell Topoisomerase II


Citation and Details

BindingDB Entry DOI: 10.7270/Q2TX3HJW
More data for this
Ligand-Target Pair
DNA topoisomerase II


(Homo sapiens (Human))
BDBM50213799
PNG
(CHEMBL440642)
Show SMILES Cc1cc(cc(C)n1)-c1c(F)cc2c(c1F)n(cc(Cc1c(O)cccc1O)c2=O)C1CC1
Show InChI InChI=1S/C26H22F2N2O3/c1-13-8-15(9-14(2)29-13)23-20(27)11-19-25(24(23)28)30(17-6-7-17)12-16(26(19)33)10-18-21(31)4-3-5-22(18)32/h3-5,8-9,11-12,17,31-32H,6-7,10H2,1-2H3
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TBA

Assay Description
Inhibitory activity against HeLa cell Topoisomerase II


Citation and Details

BindingDB Entry DOI: 10.7270/Q2TX3HJW
More data for this
Ligand-Target Pair
DNA topoisomerase II


(Homo sapiens (Human))
BDBM50213803
PNG
(CHEMBL428339)
Show SMILES Cc1cc(cc(C)n1)-c1c(F)cc2c(c1F)n(cc(Cc1c(O)cc(O)cc1O)c2=O)C1CC1
Show InChI InChI=1S/C26H22F2N2O4/c1-12-5-14(6-13(2)29-12)23-20(27)10-19-25(24(23)28)30(16-3-4-16)11-15(26(19)34)7-18-21(32)8-17(31)9-22(18)33/h5-6,8-11,16,31-33H,3-4,7H2,1-2H3
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TBA

Assay Description
Inhibitory activity against HeLa cell Topoisomerase II


Citation and Details

BindingDB Entry DOI: 10.7270/Q2TX3HJW
More data for this
Ligand-Target Pair
DNA topoisomerase II


(Homo sapiens (Human))
BDBM50213805
PNG
(CHEMBL7877)
Show SMILES Cc1cc(cc(C)n1)-c1c(F)cc2c(c1F)n(cc(Cc1ccc(O)cc1O)c2=O)C1CC1
Show InChI InChI=1S/C26H22F2N2O3/c1-13-7-16(8-14(2)29-13)23-21(27)11-20-25(24(23)28)30(18-4-5-18)12-17(26(20)33)9-15-3-6-19(31)10-22(15)32/h3,6-8,10-12,18,31-32H,4-5,9H2,1-2H3
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TBA

Assay Description
Inhibitory activity against HeLa cell Topoisomerase II


Citation and Details

BindingDB Entry DOI: 10.7270/Q2TX3HJW
More data for this
Ligand-Target Pair
DNA topoisomerase II


(Homo sapiens (Human))
BDBM50213812
PNG
(CHEMBL269139)
Show SMILES Cc1cc(cc(C)n1)-c1c(F)cc2c(c1F)n(cc(Cc1cc(O)ccc1O)c2=O)C1CC1
Show InChI InChI=1S/C26H22F2N2O3/c1-13-7-16(8-14(2)29-13)23-21(27)11-20-25(24(23)28)30(18-3-4-18)12-17(26(20)33)9-15-10-19(31)5-6-22(15)32/h5-8,10-12,18,31-32H,3-4,9H2,1-2H3
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TBA

Assay Description
Inhibitory activity against HeLa cell Topoisomerase II


Citation and Details

BindingDB Entry DOI: 10.7270/Q2TX3HJW
More data for this
Ligand-Target Pair
DNA topoisomerase II


(Homo sapiens (Human))
BDBM50214091
PNG
(CHEMBL27233)
Show SMILES CCN(CC)CCn1nc2c3c1ccc(CNC(=O)OC)c3sc1ccc(O)cc21
Show InChI InChI=1S/C22H26N4O3S/c1-4-25(5-2)10-11-26-17-8-6-14(13-23-22(28)29-3)21-19(17)20(24-26)16-12-15(27)7-9-18(16)30-21/h6-9,12,27H,4-5,10-11,13H2,1-3H3,(H,23,28)
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Sanofi Winthrop Inc.

Curated by ChEMBL


Assay Description
In vitro evaluation for inhibitor of human topoisomerase II from HeLa cells.


J Med Chem 41: 3645-54 (1998)


Article DOI: 10.1021/jm9708083
BindingDB Entry DOI: 10.7270/Q2GB26SZ
More data for this
Ligand-Target Pair
DNA topoisomerase II


(Homo sapiens (Human))
BDBM50214091
PNG
(CHEMBL27233)
Show SMILES CCN(CC)CCn1nc2c3c1ccc(CNC(=O)OC)c3sc1ccc(O)cc21
Show InChI InChI=1S/C22H26N4O3S/c1-4-25(5-2)10-11-26-17-8-6-14(13-23-22(28)29-3)21-19(17)20(24-26)16-12-15(27)7-9-18(16)30-21/h6-9,12,27H,4-5,10-11,13H2,1-3H3,(H,23,28)
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TBA

Assay Description
Inhibition of topoisomerase II purified from HeLa cells


Citation and Details

BindingDB Entry DOI: 10.7270/Q2DN4760
More data for this
Ligand-Target Pair
DNA topoisomerase II


(Homo sapiens (Human))
BDBM50213795
PNG
(CHEMBL268458)
Show SMILES Cc1cc(cc(C)n1)-c1c(F)cc2c(c1F)n(cc(Cc1ccccc1O)c2=O)C1CC1
Show InChI InChI=1S/C26H22F2N2O2/c1-14-9-17(10-15(2)29-14)23-21(27)12-20-25(24(23)28)30(19-7-8-19)13-18(26(20)32)11-16-5-3-4-6-22(16)31/h3-6,9-10,12-13,19,31H,7-8,11H2,1-2H3
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TBA

Assay Description
Inhibitory activity against HeLa cell Topoisomerase II


Citation and Details

BindingDB Entry DOI: 10.7270/Q2TX3HJW
More data for this
Ligand-Target Pair
DNA topoisomerase II


(Homo sapiens (Human))
BDBM50213794
PNG
(CHEMBL7690)
Show SMILES Cc1cc(cc(C)n1)-c1c(F)cc2c(c1F)n(cc(Cc1cccc(O)c1O)c2=O)C1CC1
Show InChI InChI=1S/C26H22F2N2O3/c1-13-8-16(9-14(2)29-13)22-20(27)11-19-24(23(22)28)30(18-6-7-18)12-17(25(19)32)10-15-4-3-5-21(31)26(15)33/h3-5,8-9,11-12,18,31,33H,6-7,10H2,1-2H3
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TBA

Assay Description
Inhibition of Vascular endothelial growth factor receptor 2 (KDR)


Citation and Details

BindingDB Entry DOI: 10.7270/Q2TX3HJW
More data for this
Ligand-Target Pair
DNA topoisomerase II


(Homo sapiens (Human))
BDBM50286492
PNG
(2-(4-Amino-cyclohexyl)-5-cyclopropyl-7-(2,6-dimeth...)
Show SMILES Cc1cc(cc(C)n1)-c1c(F)cc2c3nn([C@@H]4CC[C@H](N)CC4)c(=O)c3cn(C3CC3)c2c1F
Show InChI InChI=1S/C26H27F2N5O/c1-13-9-15(10-14(2)30-13)22-21(27)11-19-24-20(12-32(17-7-8-17)25(19)23(22)28)26(34)33(31-24)18-5-3-16(29)4-6-18/h9-12,16-18H,3-8,29H2,1-2H3/t16-,18+
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TBA

Curated by ChEMBL


Assay Description
Compound was tested for topoisomerase II inhibition in purified HeLa cells by SDS/K+ precipitation method


Bioorg Med Chem Lett 5: 405-410 (1995)


Article DOI: 10.1016/0960-894X(95)00044-T
BindingDB Entry DOI: 10.7270/Q2CZ37N7
More data for this
Ligand-Target Pair
DNA topoisomerase II


(Homo sapiens (Human))
BDBM50471783
PNG
(CHEMBL121666)
Show SMILES CCN(CC)CCNc1ccc(CNS(C)(=O)=O)c2sc3ccc(O)cc3c(=O)c12
Show InChI InChI=1S/C21H27N3O4S2/c1-4-24(5-2)11-10-22-17-8-6-14(13-23-30(3,27)28)21-19(17)20(26)16-12-15(25)7-9-18(16)29-21/h6-9,12,22-23,25H,4-5,10-11,13H2,1-3H3
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Sanofi Winthrop Inc.

Curated by ChEMBL


Assay Description
In vitro evaluation for inhibitor of human topoisomerase II from HeLa cells.


J Med Chem 41: 3645-54 (1998)


Article DOI: 10.1021/jm9708083
BindingDB Entry DOI: 10.7270/Q2GB26SZ
More data for this
Ligand-Target Pair
DNA topoisomerase II


(Homo sapiens (Human))
BDBM50213996
PNG
(CHEMBL30104)
Show SMILES CCN(CC)CCn1nc2c3c1ccc(CNS(C)(=O)=O)c3sc1ccc(O)cc21
Show InChI InChI=1S/C21H26N4O3S2/c1-4-24(5-2)10-11-25-17-8-6-14(13-22-30(3,27)28)21-19(17)20(23-25)16-12-15(26)7-9-18(16)29-21/h6-9,12,22,26H,4-5,10-11,13H2,1-3H3
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Sanofi Winthrop Inc.

Curated by ChEMBL


Assay Description
In vitro evaluation for inhibitor of human topoisomerase II from HeLa cells.


J Med Chem 41: 3645-54 (1998)


Article DOI: 10.1021/jm9708083
BindingDB Entry DOI: 10.7270/Q2GB26SZ
More data for this
Ligand-Target Pair
DNA topoisomerase II


(Homo sapiens (Human))
BDBM50213996
PNG
(CHEMBL30104)
Show SMILES CCN(CC)CCn1nc2c3c1ccc(CNS(C)(=O)=O)c3sc1ccc(O)cc21
Show InChI InChI=1S/C21H26N4O3S2/c1-4-24(5-2)10-11-25-17-8-6-14(13-22-30(3,27)28)21-19(17)20(23-25)16-12-15(26)7-9-18(16)29-21/h6-9,12,22,26H,4-5,10-11,13H2,1-3H3
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TBA

Assay Description
Inhibition of topoisomerase II purified from HeLa cells


Citation and Details

BindingDB Entry DOI: 10.7270/Q2DN4760
More data for this
Ligand-Target Pair
DNA topoisomerase II


(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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TBA

Assay Description
Inhibitory activity in a cell-free assay of DNA cleavage mediated by purified HeLa cell topoisomerase II.


Citation and Details

BindingDB Entry DOI: 10.7270/Q2R49SXV
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
DNA topoisomerase II


(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/an/an/a 720n/an/an/an/a



Sanofi Winthrop Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitior of human DNA topoisomerase II from HeLa cells.


J Med Chem 41: 3645-54 (1998)


Article DOI: 10.1021/jm9708083
BindingDB Entry DOI: 10.7270/Q2GB26SZ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
DNA topoisomerase II


(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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TBA

Curated by ChEMBL


Assay Description
Compound was tested for topoisomerase II inhibition in purified HeLa cells by SDS/K+ precipitation method


Bioorg Med Chem Lett 5: 405-410 (1995)


Article DOI: 10.1016/0960-894X(95)00044-T
BindingDB Entry DOI: 10.7270/Q2CZ37N7
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
DNA topoisomerase II


(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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TBA

Assay Description
Tested for inhibitory activity against Topoisomerase II isolated from HeLa cells by using SDS-K+ precipitation method


Citation and Details

BindingDB Entry DOI: 10.7270/Q21R6SNT
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
DNA topoisomerase II


(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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TBA

Assay Description
Inhibition of topoisomerase II purified from HeLa cells


Citation and Details

BindingDB Entry DOI: 10.7270/Q2DN4760
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
DNA topoisomerase II


(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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Sterling Winthrop Pharmaceuticals Research Division

Curated by ChEMBL


Assay Description
Tested for inhibition of topoisomerase II isolated from HeLa cells by DNA-cleavage assay


J Med Chem 36: 2801-9 (1993)


Article DOI: 10.1021/jm00071a010
BindingDB Entry DOI: 10.7270/Q2NK3H89
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
DNA topoisomerase II


(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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TBA

Assay Description
Inhibitory activity against HeLa cell Topoisomerase II


Citation and Details

BindingDB Entry DOI: 10.7270/Q2TX3HJW
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
DNA topoisomerase II


(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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Article
n/an/an/an/a 810n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for topoisomerase II inhibition in purified HeLa cells by SDS/K+ precipitation method


Bioorg Med Chem Lett 5: 405-410 (1995)


Article DOI: 10.1016/0960-894X(95)00044-T
BindingDB Entry DOI: 10.7270/Q2CZ37N7
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
DNA topoisomerase II


(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/an/an/a 810n/an/an/an/a



Sterling Winthrop Pharmaceuticals Research Division

Curated by ChEMBL


Assay Description
Tested for inhibition of topoisomerase II isolated from HeLa cells by DNA-cleavage assay


J Med Chem 36: 2801-9 (1993)


Article DOI: 10.1021/jm00071a010
BindingDB Entry DOI: 10.7270/Q2NK3H89
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
DNA topoisomerase II


(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/an/an/a 810n/an/an/an/a


TBA

Assay Description
Inhibitory activity in a cell-free assay of DNA cleavage mediated by purified HeLa cell topoisomerase II.


Citation and Details

BindingDB Entry DOI: 10.7270/Q2R49SXV
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
DNA topoisomerase II


(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/an/an/a 810n/an/an/an/a


TBA

Assay Description
Inhibitory activity against HeLa cell Topoisomerase II


Citation and Details

BindingDB Entry DOI: 10.7270/Q2TX3HJW
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
DNA topoisomerase II


(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/an/an/a 810n/an/an/an/a


TBA

Assay Description
Tested for inhibitory activity against Topoisomerase II isolated from HeLa cells by using SDS-K+ precipitation method


Citation and Details

BindingDB Entry DOI: 10.7270/Q21R6SNT
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
DNA topoisomerase II


(Homo sapiens (Human))
BDBM50286484
PNG
(2-Cyclohexyl-5-cyclopropyl-7-(2,6-dimethyl-pyridin...)
Show SMILES Cc1cc(cc(C)n1)-c1c(F)cc2c3nn(C4CCCCC4)c(=O)c3cn(C3CC3)c2c1F
Show InChI InChI=1S/C26H26F2N4O/c1-14-10-16(11-15(2)29-14)22-21(27)12-19-24-20(13-31(17-8-9-17)25(19)23(22)28)26(33)32(30-24)18-6-4-3-5-7-18/h10-13,17-18H,3-9H2,1-2H3
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Article
n/an/an/an/a 900n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for topoisomerase II inhibition in purified HeLa cells by SDS/K+ precipitation method


Bioorg Med Chem Lett 5: 405-410 (1995)


Article DOI: 10.1016/0960-894X(95)00044-T
BindingDB Entry DOI: 10.7270/Q2CZ37N7
More data for this
Ligand-Target Pair
DNA topoisomerase II


(Homo sapiens (Human))
BDBM50286486
PNG
(5-Cyclopropyl-2-(2-dimethylamino-ethyl)-7-(2,6-dim...)
Show SMILES CN(C)CCn1nc2c(cn(C3CC3)c3c(F)c(c(F)cc23)-c2cc(C)nc(C)c2)c1=O
Show InChI InChI=1S/C24H25F2N5O/c1-13-9-15(10-14(2)27-13)20-19(25)11-17-22-18(24(32)31(28-22)8-7-29(3)4)12-30(16-5-6-16)23(17)21(20)26/h9-12,16H,5-8H2,1-4H3
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n/an/an/an/a 930n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of calf thymus DNA/ethidium bromide complex formation.


Bioorg Med Chem Lett 5: 405-410 (1995)


Article DOI: 10.1016/0960-894X(95)00044-T
BindingDB Entry DOI: 10.7270/Q2CZ37N7
More data for this
Ligand-Target Pair
DNA topoisomerase II


(Homo sapiens (Human))
BDBM50212758
PNG
(CHEMBL133780)
Show SMILES Cc1cc(cc(C)n1)-c1c(F)cc2c(c1F)n(cc\c2=N/Nc1ccccn1)C1CC1
Show InChI InChI=1S/C24H21F2N5/c1-14-11-16(12-15(2)28-14)22-19(25)13-18-20(29-30-21-5-3-4-9-27-21)8-10-31(17-6-7-17)24(18)23(22)26/h3-5,8-13,17H,6-7H2,1-2H3,(H,27,30)/b29-20+
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n/an/an/an/a 980n/an/an/an/a


TBA

Assay Description
Inhibitory activity in a cell-free assay of DNA cleavage mediated by purified HeLa cell topoisomerase II.


Citation and Details

BindingDB Entry DOI: 10.7270/Q2R49SXV
More data for this
Ligand-Target Pair
DNA topoisomerase II


(Homo sapiens (Human))
BDBM50471911
PNG
(CHEMBL342844)
Show SMILES COc1cc(cc(OC)c1O)[C@H]1[C@@H]2[C@H](COC2=O)[C@H](OC2CC(C3OC(C)OCC3O2)N2CCOCC2)c2cc3OCOc3cc12
Show InChI InChI=1S/C33H39NO12/c1-16-40-14-26-32(44-16)21(34-4-6-39-7-5-34)12-27(45-26)46-31-19-11-23-22(42-15-43-23)10-18(19)28(29-20(31)13-41-33(29)36)17-8-24(37-2)30(35)25(9-17)38-3/h8-11,16,20-21,26-29,31-32,35H,4-7,12-15H2,1-3H3/t16?,20-,21?,26?,27?,28+,29-,31+,32?/m0/s1
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n/an/an/an/a>1.00E+3n/an/an/an/a



UMR 176 CNRS/Institut Curie

Curated by ChEMBL


Assay Description
Concentration of compound at which inhibitory activity detected against DNA topoisomerase II


J Med Chem 41: 4475-85 (1998)


Article DOI: 10.1021/jm9800752
BindingDB Entry DOI: 10.7270/Q2251MZB
More data for this
Ligand-Target Pair
Topoisomerase I/II


(Homo sapiens (Human))
BDBM50505831
PNG
(CHEMBL4454056)
Show SMILES Oc1c(NC(=O)CN2CCOCC2)ccc2c(ccnc12)-c1cc2ccccc2o1
Show InChI InChI=1S/C23H21N3O4/c27-21(14-26-9-11-29-12-10-26)25-18-6-5-17-16(7-8-24-22(17)23(18)28)20-13-15-3-1-2-4-19(15)30-20/h1-8,13,28H,9-12,14H2,(H,25,27)
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n/an/an/an/a 1.00E+3n/an/an/an/a



Colorado State University

Curated by ChEMBL


Assay Description
Inhibition of topoisomerase 2alpha in human SW620 organoids transfected with VimPro-GFP reporter assessed as reversion of epithelial-mesenchymal tran...


J Med Chem 62: 10182-10203 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01065
More data for this
Ligand-Target Pair
DNA topoisomerase II


(Homo sapiens (Human))
BDBM50471915
PNG
(CHEMBL434650)
Show SMILES COc1cc(cc(OC)c1O)[C@H]1[C@@H]2[C@H](COC2=O)[C@H](OC2CC(NCC#N)C3OC(C)OCC3O2)c2cc3OCOc3cc12
Show InChI InChI=1S/C31H34N2O11/c1-14-38-12-24-30(42-14)19(33-5-4-32)10-25(43-24)44-29-17-9-21-20(40-13-41-21)8-16(17)26(27-18(29)11-39-31(27)35)15-6-22(36-2)28(34)23(7-15)37-3/h6-9,14,18-19,24-27,29-30,33-34H,5,10-13H2,1-3H3/t14?,18-,19?,24?,25?,26+,27-,29+,30?/m0/s1
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n/an/an/an/a>1.00E+3n/an/an/an/a



UMR 176 CNRS/Institut Curie

Curated by ChEMBL


Assay Description
Concentration of compound at which inhibitory activity detected against DNA topoisomerase II


J Med Chem 41: 4475-85 (1998)


Article DOI: 10.1021/jm9800752
BindingDB Entry DOI: 10.7270/Q2251MZB
More data for this
Ligand-Target Pair
DNA topoisomerase II


(Homo sapiens (Human))
BDBM50213813
PNG
(CHEMBL7960)
Show SMILES Cc1cc(cc(C)n1)-c1c(F)cc2c(c1F)n(cc(Cc1cccc(O)c1)c2=O)C1CC1
Show InChI InChI=1S/C26H22F2N2O2/c1-14-8-17(9-15(2)29-14)23-22(27)12-21-25(24(23)28)30(19-6-7-19)13-18(26(21)32)10-16-4-3-5-20(31)11-16/h3-5,8-9,11-13,19,31H,6-7,10H2,1-2H3
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n/an/an/an/a 1.10E+3n/an/an/an/a


TBA

Assay Description
Inhibitory activity against HeLa cell Topoisomerase II


Citation and Details

BindingDB Entry DOI: 10.7270/Q2TX3HJW
More data for this
Ligand-Target Pair
DNA topoisomerase II


(Homo sapiens (Human))
BDBM50213294
PNG
(CHEMBL8063)
Show SMILES Cc1cc(cc(C)n1)-c1c(F)cc2c(c1F)n(cc(Cc1ncc[nH]1)c2=O)C1CC1
Show InChI InChI=1S/C23H20F2N4O/c1-12-7-14(8-13(2)28-12)20-18(24)10-17-22(21(20)25)29(16-3-4-16)11-15(23(17)30)9-19-26-5-6-27-19/h5-8,10-11,16H,3-4,9H2,1-2H3,(H,26,27)
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n/an/an/an/a 1.10E+3n/an/an/an/a


TBA

Assay Description
Inhibitory activity against HeLa cell Topoisomerase II


Citation and Details

BindingDB Entry DOI: 10.7270/Q2TX3HJW
More data for this
Ligand-Target Pair
Topoisomerase I/II


(Homo sapiens (Human))
BDBM50505833
PNG
(CHEMBL4564777)
Show SMILES CC(=O)Nc1ccc2c(ccnc2c1O)-c1cccs1
Show InChI InChI=1S/C15H12N2O2S/c1-9(18)17-12-5-4-11-10(13-3-2-8-20-13)6-7-16-14(11)15(12)19/h2-8,19H,1H3,(H,17,18)
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n/an/an/an/a 1.10E+3n/an/an/an/a



Colorado State University

Curated by ChEMBL


Assay Description
Inhibition of topoisomerase 2alpha in human SW620 organoids transfected with EcadPro-RFP reporter assessed as reversion of epithelial-mesenchymal tra...


J Med Chem 62: 10182-10203 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01065
More data for this
Ligand-Target Pair
DNA topoisomerase II


(Homo sapiens (Human))
BDBM50231257
PNG
(CHEMBL96510)
Show SMILES OC(=O)c1cn(C2CC2)c2c(F)c(c(F)cc2c1=O)-c1ccc(O)cc1
Show InChI InChI=1S/C19H13F2NO4/c20-14-7-12-17(16(21)15(14)9-1-5-11(23)6-2-9)22(10-3-4-10)8-13(18(12)24)19(25)26/h1-2,5-8,10,23H,3-4H2,(H,25,26)
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n/an/an/an/a 1.20E+3n/an/an/an/a



Sterling Winthrop Pharmaceuticals Research Division

Curated by ChEMBL


Assay Description
Tested for inhibition of topoisomerase II isolated from HeLa cells by DNA-cleavage assay


J Med Chem 36: 2801-9 (1993)


Article DOI: 10.1021/jm00071a010
BindingDB Entry DOI: 10.7270/Q2NK3H89
More data for this
Ligand-Target Pair
Topoisomerase I/II


(Homo sapiens (Human))
BDBM50505824
PNG
(CHEMBL4476462)
Show SMILES CC(=O)Nc1ccc2c(ccnc2c1O)-c1cc(F)ccc1O
Show InChI InChI=1S/C17H13FN2O3/c1-9(21)20-14-4-3-12-11(6-7-19-16(12)17(14)23)13-8-10(18)2-5-15(13)22/h2-8,22-23H,1H3,(H,20,21)
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n/an/an/an/a 1.20E+3n/an/an/an/a



Colorado State University

Curated by ChEMBL


Assay Description
Inhibition of topoisomerase 2alpha in human SW620 organoids transfected with VimPro-GFP reporter assessed as reversion of epithelial-mesenchymal tran...


J Med Chem 62: 10182-10203 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01065
More data for this
Ligand-Target Pair
DNA topoisomerase II


(Homo sapiens (Human))
BDBM50213810
PNG
(CHEMBL7534)
Show SMILES Cc1cc(cc(C)n1)-c1c(F)cc2c(c1F)n(cc(Cc1ccc(O)cc1)c2=O)C1CC1
Show InChI InChI=1S/C26H22F2N2O2/c1-14-9-17(10-15(2)29-14)23-22(27)12-21-25(24(23)28)30(19-5-6-19)13-18(26(21)32)11-16-3-7-20(31)8-4-16/h3-4,7-10,12-13,19,31H,5-6,11H2,1-2H3
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n/an/an/an/a 1.20E+3n/an/an/an/a


TBA

Assay Description
Inhibitory activity against HeLa cell Topoisomerase II


Citation and Details

BindingDB Entry DOI: 10.7270/Q2TX3HJW
More data for this
Ligand-Target Pair
Topoisomerase I/II


(Homo sapiens (Human))
BDBM50505828
PNG
(CHEMBL4527023)
Show SMILES Oc1ccc(F)cc1-c1ccnc2c(O)c(NC(=O)CCN3CCOCC3)ccc12
Show InChI InChI=1S/C22H22FN3O4/c23-14-1-4-19(27)17(13-14)15-5-7-24-21-16(15)2-3-18(22(21)29)25-20(28)6-8-26-9-11-30-12-10-26/h1-5,7,13,27,29H,6,8-12H2,(H,25,28)
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n/an/an/an/a 1.20E+3n/an/an/an/a



Colorado State University

Curated by ChEMBL


Assay Description
Inhibition of topoisomerase 2alpha in human SW620 organoids transfected with EcadPro-RFP reporter assessed as reversion of epithelial-mesenchymal tra...


J Med Chem 62: 10182-10203 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01065
More data for this
Ligand-Target Pair
Topoisomerase I/II


(Homo sapiens (Human))
BDBM50505833
PNG
(CHEMBL4564777)
Show SMILES CC(=O)Nc1ccc2c(ccnc2c1O)-c1cccs1
Show InChI InChI=1S/C15H12N2O2S/c1-9(18)17-12-5-4-11-10(13-3-2-8-20-13)6-7-16-14(11)15(12)19/h2-8,19H,1H3,(H,17,18)
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n/an/an/an/a 1.20E+3n/an/an/an/a



Colorado State University

Curated by ChEMBL


Assay Description
Inhibition of topoisomerase 2alpha in human SW620 organoids transfected with VimPro-GFP reporter assessed as reversion of epithelial-mesenchymal tran...


J Med Chem 62: 10182-10203 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01065
More data for this
Ligand-Target Pair
DNA topoisomerase II


(Homo sapiens (Human))
BDBM50286495
PNG
(5-Cyclopropyl-7-(2,6-dimethyl-pyridin-4-yl)-6,8-di...)
Show SMILES Cc1cc(cc(C)n1)-c1c(F)cc2c3nn(CCNCCO)c(=O)c3cn(C3CC3)c2c1F
Show InChI InChI=1S/C24H25F2N5O2/c1-13-9-15(10-14(2)28-13)20-19(25)11-17-22-18(12-30(16-3-4-16)23(17)21(20)26)24(33)31(29-22)7-5-27-6-8-32/h9-12,16,27,32H,3-8H2,1-2H3
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n/an/an/an/a 1.20E+3n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of calf thymus DNA/ethidium bromide complex formation.


Bioorg Med Chem Lett 5: 405-410 (1995)


Article DOI: 10.1016/0960-894X(95)00044-T
BindingDB Entry DOI: 10.7270/Q2CZ37N7
More data for this
Ligand-Target Pair
DNA topoisomerase II


(Homo sapiens (Human))
BDBM50212721
PNG
(CHEMBL129840)
Show SMILES Cc1cc(cc(C)n1)-c1c(F)cc2c(c1F)n(cc\c2=N\O)C1CC1
Show InChI InChI=1S/C19H17F2N3O/c1-10-7-12(8-11(2)22-10)17-15(20)9-14-16(23-25)5-6-24(13-3-4-13)19(14)18(17)21/h5-9,13,25H,3-4H2,1-2H3/b23-16-
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n/an/an/an/a 1.40E+3n/an/an/an/a


TBA

Assay Description
Inhibitory activity in a cell-free assay of DNA cleavage mediated by purified HeLa cell topoisomerase II.


Citation and Details

BindingDB Entry DOI: 10.7270/Q2R49SXV
More data for this
Ligand-Target Pair
DNA topoisomerase II


(Homo sapiens (Human))
BDBM50212858
PNG
(CHEMBL422791)
Show SMILES Cc1cc(cc(C)n1)-c1c(F)cc2c(c1F)n(cc\c2=N/c1ccccc1O)C1CC1
Show InChI InChI=1S/C25H21F2N3O/c1-14-11-16(12-15(2)28-14)23-19(26)13-18-20(29-21-5-3-4-6-22(21)31)9-10-30(17-7-8-17)25(18)24(23)27/h3-6,9-13,17,31H,7-8H2,1-2H3/b29-20+
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n/an/an/an/a 1.60E+3n/an/an/an/a


TBA

Assay Description
Inhibitory activity in a cell-free assay of DNA cleavage mediated by purified HeLa cell topoisomerase II.


Citation and Details

BindingDB Entry DOI: 10.7270/Q2R49SXV
More data for this
Ligand-Target Pair
DNA topoisomerase II


(Homo sapiens (Human))
BDBM50213815
PNG
(CHEMBL267251)
Show SMILES Cc1cc(cc(C)n1)-c1c(F)cc2c(c1F)n(cc(Cc1c[nH]cn1)c2=O)C1CC1
Show InChI InChI=1S/C23H20F2N4O/c1-12-5-14(6-13(2)28-12)20-19(24)8-18-22(21(20)25)29(17-3-4-17)10-15(23(18)30)7-16-9-26-11-27-16/h5-6,8-11,17H,3-4,7H2,1-2H3,(H,26,27)
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n/an/an/an/a 1.60E+3n/an/an/an/a


TBA

Assay Description
Inhibitory activity against HeLa cell Topoisomerase II


Citation and Details

BindingDB Entry DOI: 10.7270/Q2TX3HJW
More data for this
Ligand-Target Pair
Topoisomerase I/II


(Homo sapiens (Human))
BDBM50505824
PNG
(CHEMBL4476462)
Show SMILES CC(=O)Nc1ccc2c(ccnc2c1O)-c1cc(F)ccc1O
Show InChI InChI=1S/C17H13FN2O3/c1-9(21)20-14-4-3-12-11(6-7-19-16(12)17(14)23)13-8-10(18)2-5-15(13)22/h2-8,22-23H,1H3,(H,20,21)
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n/an/an/an/a 1.60E+3n/an/an/an/a



Colorado State University

Curated by ChEMBL


Assay Description
Inhibition of topoisomerase 2alpha in human SW620 organoids transfected with EcadPro-RFP reporter assessed as reversion of epithelial-mesenchymal tra...


J Med Chem 62: 10182-10203 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01065
More data for this
Ligand-Target Pair
DNA topoisomerase II


(Homo sapiens (Human))
BDBM50471781
PNG
(CHEMBL121442)
Show SMILES CCN(CC)CCNc1ccc(CNC(=O)OC)c2sc3ccc(O)cc3c(=O)c12
Show InChI InChI=1S/C22H27N3O4S/c1-4-25(5-2)11-10-23-17-8-6-14(13-24-22(28)29-3)21-19(17)20(27)16-12-15(26)7-9-18(16)30-21/h6-9,12,23,26H,4-5,10-11,13H2,1-3H3,(H,24,28)
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n/an/an/an/a 1.60E+3n/an/an/an/a



Sanofi Winthrop Inc.

Curated by ChEMBL


Assay Description
In vitro evaluation for inhibitor of human topoisomerase II from HeLa cells.


J Med Chem 41: 3645-54 (1998)


Article DOI: 10.1021/jm9708083
BindingDB Entry DOI: 10.7270/Q2GB26SZ
More data for this
Ligand-Target Pair
Topoisomerase I/II


(Homo sapiens (Human))
BDBM50505823
PNG
(CHEMBL4584155)
Show SMILES CC(=O)Nc1ccc2c(ccnc2c1O)-c1ccoc1
Show InChI InChI=1S/C15H12N2O3/c1-9(18)17-13-3-2-12-11(10-5-7-20-8-10)4-6-16-14(12)15(13)19/h2-8,19H,1H3,(H,17,18)
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n/an/an/an/a 1.70E+3n/an/an/an/a



Colorado State University

Curated by ChEMBL


Assay Description
Inhibition of topoisomerase 2alpha in human SW620 organoids transfected with VimPro-GFP reporter assessed as reversion of epithelial-mesenchymal tran...


J Med Chem 62: 10182-10203 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01065
More data for this
Ligand-Target Pair
DNA topoisomerase II


(Homo sapiens (Human))
BDBM50212726
PNG
(CHEMBL337666)
Show SMILES Cc1cc(cc(C)n1)-c1c(F)cc2c(c1F)n(cc\c2=N/N)C1CC1
Show InChI InChI=1S/C19H18F2N4/c1-10-7-12(8-11(2)23-10)17-15(20)9-14-16(24-22)5-6-25(13-3-4-13)19(14)18(17)21/h5-9,13H,3-4,22H2,1-2H3/b24-16+
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n/an/an/an/a 1.70E+3n/an/an/an/a


TBA

Assay Description
Inhibitory activity in a cell-free assay of DNA cleavage mediated by purified HeLa cell topoisomerase II.


Citation and Details

BindingDB Entry DOI: 10.7270/Q2R49SXV
More data for this
Ligand-Target Pair
DNA topoisomerase II


(Homo sapiens (Human))
BDBM50286501
PNG
(5-Cyclopropyl-2-(3-dimethylamino-propyl)-7-(2,6-di...)
Show SMILES CN(C)CCCn1nc2c(cn(C3CC3)c3c(F)c(c(F)cc23)-c2cc(C)nc(C)c2)c1=O
Show InChI InChI=1S/C25H27F2N5O/c1-14-10-16(11-15(2)28-14)21-20(26)12-18-23-19(13-31(17-6-7-17)24(18)22(21)27)25(33)32(29-23)9-5-8-30(3)4/h10-13,17H,5-9H2,1-4H3
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n/an/an/an/a 1.70E+3n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for topoisomerase II inhibition in purified HeLa cells by SDS/K+ precipitation method


Bioorg Med Chem Lett 5: 405-410 (1995)


Article DOI: 10.1016/0960-894X(95)00044-T
BindingDB Entry DOI: 10.7270/Q2CZ37N7
More data for this
Ligand-Target Pair
DNA topoisomerase II


(Homo sapiens (Human))
BDBM50286485
PNG
(5-Cyclopropyl-7-(2,6-dimethyl-pyridin-4-yl)-6,8-di...)
Show SMILES Cc1cc(cc(C)n1)-c1c(F)cc2c3nn(C4CCOCC4)c(=O)c3cn(C3CC3)c2c1F
Show InChI InChI=1S/C25H24F2N4O2/c1-13-9-15(10-14(2)28-13)21-20(26)11-18-23-19(12-30(16-3-4-16)24(18)22(21)27)25(32)31(29-23)17-5-7-33-8-6-17/h9-12,16-17H,3-8H2,1-2H3
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n/an/an/an/a 1.70E+3n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for topoisomerase II inhibition in purified HeLa cells by SDS/K+ precipitation method


Bioorg Med Chem Lett 5: 405-410 (1995)


Article DOI: 10.1016/0960-894X(95)00044-T
BindingDB Entry DOI: 10.7270/Q2CZ37N7
More data for this
Ligand-Target Pair
DNA topoisomerase II


(Homo sapiens (Human))
BDBM50286494
PNG
(5-Cyclopropyl-2-(4-dimethylamino-cyclohexyl)-7-(2,...)
Show SMILES CN(C)[C@H]1CC[C@H](CC1)n1nc2c(cn(C3CC3)c3c(F)c(c(F)cc23)-c2cc(C)nc(C)c2)c1=O
Show InChI InChI=1S/C28H31F2N5O/c1-15-11-17(12-16(2)31-15)24-23(29)13-21-26-22(14-34(19-7-8-19)27(21)25(24)30)28(36)35(32-26)20-9-5-18(6-10-20)33(3)4/h11-14,18-20H,5-10H2,1-4H3/t18-,20+
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n/an/an/an/a 1.70E+3n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for topoisomerase II inhibition in purified HeLa cells by SDS/K+ precipitation method


Bioorg Med Chem Lett 5: 405-410 (1995)


Article DOI: 10.1016/0960-894X(95)00044-T
BindingDB Entry DOI: 10.7270/Q2CZ37N7
More data for this
Ligand-Target Pair
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