Found 244 hits of ec50 for UniProtKB: P11388 Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kcal/mole | IC50
nM | Kd
nM | EC50/IC50
nM | koff
s-1 | kon
M-1s-1 | pH | Temp
°C |
|---|
DNA topoisomerase 2-alpha/2-beta
(Homo sapiens (Human)) | BDBM21690
(1-cyclopropyl-6-fluoro-4-oxo-7-(piperazin-1-yl)-1,...)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) | PDB
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| | n/a | n/a | n/a | n/a | 30 | n/a | n/a | n/a | n/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 2-alpha/2-beta
(Homo sapiens (Human)) | BDBM50213799
(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 | PDB
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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 2-alpha/2-beta
(Homo sapiens (Human)) | BDBM50213803
(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 | PDB
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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 2-alpha/2-beta
(Homo sapiens (Human)) | BDBM50213812
(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 | PDB
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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 2-alpha/2-beta
(Homo sapiens (Human)) | BDBM50213805
(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 | PDB
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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 2-alpha/2-beta
(Homo sapiens (Human)) | BDBM50214091
(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) | PDB
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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 2-alpha/2-beta
(Homo sapiens (Human)) | BDBM50213795
(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 | PDB
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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 2-alpha/2-beta
(Homo sapiens (Human)) | BDBM50214091
(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) | PDB
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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 2-alpha/2-beta
(Homo sapiens (Human)) | BDBM50213794
(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 | PDB
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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 2-alpha/2-beta
(Homo sapiens (Human)) | BDBM50471783
(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 | PDB
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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 2-alpha/2-beta
(Homo sapiens (Human)) | BDBM50286492
(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 |wU:16.16,19.20,(1.59,-7.35,;2.95,-8.14,;4.28,-7.37,;5.63,-8.14,;5.63,-9.68,;4.3,-10.45,;4.3,-11.99,;2.95,-9.68,;6.96,-7.37,;6.96,-5.83,;5.61,-5.06,;8.29,-5.06,;9.62,-5.83,;10.95,-5.06,;11.28,-3.55,;12.79,-3.39,;13.56,-2.05,;15.1,-2.05,;15.87,-.73,;15.1,.61,;15.87,1.94,;13.56,.61,;12.77,-.73,;13.45,-4.78,;14.94,-5.09,;12.28,-5.83,;12.28,-7.37,;10.95,-8.14,;10.95,-9.68,;10.18,-11.02,;11.72,-11.01,;9.62,-7.37,;8.29,-8.14,;8.29,-9.68,)| 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+ | PDB
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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 2-alpha/2-beta
(Homo sapiens (Human)) | BDBM50213996
(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 | PDB
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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 2-alpha/2-beta
(Homo sapiens (Human)) | BDBM50213996
(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 | PDB
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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 2-alpha/2-beta
(Homo sapiens (Human)) | BDBM87351
(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) | PDB
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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 Structure (crystal) |
DNA topoisomerase 2-alpha/2-beta
(Homo sapiens (Human)) | BDBM87351
(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) | PDB
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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 Structure (crystal) |
DNA topoisomerase 2-alpha/2-beta
(Homo sapiens (Human)) | BDBM87351
(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) | PDB
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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 Structure (crystal) |
DNA topoisomerase 2-alpha/2-beta
(Homo sapiens (Human)) | BDBM87351
(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) | PDB
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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 Structure (crystal) |
DNA topoisomerase 2-alpha/2-beta
(Homo sapiens (Human)) | BDBM87351
(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) | PDB
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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 Structure (crystal) |
DNA topoisomerase 2-alpha/2-beta
(Homo sapiens (Human)) | BDBM87351
(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) | PDB
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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 Structure (crystal) |
DNA topoisomerase 2-alpha/2-beta
(Homo sapiens (Human)) | BDBM87351
(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) | PDB
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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 Structure (crystal) |
DNA topoisomerase 2-alpha/2-beta
(Homo sapiens (Human)) | BDBM50127140
((-)-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 |r| 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 | PDB
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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 Structure (crystal) |
DNA topoisomerase 2-alpha/2-beta
(Homo sapiens (Human)) | BDBM50127140
((-)-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 |r| 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 | PDB
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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 Structure (crystal) |
DNA topoisomerase 2-alpha/2-beta
(Homo sapiens (Human)) | BDBM50127140
((-)-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 |r| 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 | PDB
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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 Structure (crystal) |
DNA topoisomerase 2-alpha/2-beta
(Homo sapiens (Human)) | BDBM50127140
((-)-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 |r| 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 | PDB
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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 Structure (crystal) |
DNA topoisomerase 2-alpha/2-beta
(Homo sapiens (Human)) | BDBM50127140
((-)-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 |r| 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 | PDB
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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 Structure (crystal) |
DNA topoisomerase 2-alpha/2-beta
(Homo sapiens (Human)) | BDBM50286484
(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 | PDB
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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 2-alpha/2-beta
(Homo sapiens (Human)) | BDBM50212758
(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+ | PDB
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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 | |
DNA topoisomerase 2-alpha/2-beta
(Homo sapiens (Human)) | BDBM50471911
(CHEMBL342844)Show SMILES [H][C@]12COC(=O)[C@]1([H])[C@H](c1cc(OC)c(O)c(OC)c1)c1cc3OCOc3cc1[C@H]2OC1CC(C2OC(C)OCC2O1)N1CCOCC1 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 | PDB
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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 2-alpha
(Homo sapiens (Human)) | BDBM50505831
(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) | PDB
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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
BindingDB Entry DOI: 10.7270/Q2251NGG |
More data for this
Ligand-Target Pair | |
DNA topoisomerase 2-alpha/2-beta
(Homo sapiens (Human)) | BDBM50471915
(CHEMBL434650)Show SMILES [H][C@]12COC(=O)[C@]1([H])[C@H](c1cc(OC)c(O)c(OC)c1)c1cc3OCOc3cc1[C@H]2OC1CC(NCC#N)C2OC(C)OCC2O1 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 | PDB
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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 2-alpha
(Homo sapiens (Human)) | BDBM50505833
(CHEMBL4564777)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) | PDB
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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
BindingDB Entry DOI: 10.7270/Q2251NGG |
More data for this
Ligand-Target Pair | |
DNA topoisomerase 2-alpha/2-beta
(Homo sapiens (Human)) | BDBM50213294
(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) | PDB
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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 2-alpha/2-beta
(Homo sapiens (Human)) | BDBM50213813
(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 | PDB
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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 2-alpha/2-beta
(Homo sapiens (Human)) | BDBM50231257
(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) | PDB
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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 | |
DNA topoisomerase 2-alpha
(Homo sapiens (Human)) | BDBM50505824
(CHEMBL4476462)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) | PDB
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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
BindingDB Entry DOI: 10.7270/Q2251NGG |
More data for this
Ligand-Target Pair | |
DNA topoisomerase 2-alpha/2-beta
(Homo sapiens (Human)) | BDBM50213810
(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 | PDB
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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 2-alpha
(Homo sapiens (Human)) | BDBM50505828
(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) | PDB
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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
BindingDB Entry DOI: 10.7270/Q2251NGG |
More data for this
Ligand-Target Pair | |
DNA topoisomerase 2-alpha
(Homo sapiens (Human)) | BDBM50505833
(CHEMBL4564777)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) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 1.20E+3 | n/a | n/a | n/a | n/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
BindingDB Entry DOI: 10.7270/Q2251NGG |
More data for this
Ligand-Target Pair | |
DNA topoisomerase 2-alpha/2-beta
(Homo sapiens (Human)) | BDBM50212721
(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- | PDB
KEGG
UniProtKB/SwissProt
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GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| | n/a | n/a | n/a | n/a | 1.40E+3 | n/a | n/a | n/a | n/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 2-alpha/2-beta
(Homo sapiens (Human)) | BDBM50471781
(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) | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 1.60E+3 | n/a | n/a | n/a | n/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 | |
DNA topoisomerase 2-alpha/2-beta
(Homo sapiens (Human)) | BDBM50212858
(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+ | PDB
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| | n/a | n/a | n/a | n/a | 1.60E+3 | n/a | n/a | n/a | n/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 2-alpha/2-beta
(Homo sapiens (Human)) | BDBM50213815
(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) | PDB
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| CHEMBL
MMDB
PC cid
PC sid
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Similars
| | n/a | n/a | n/a | n/a | 1.60E+3 | n/a | n/a | n/a | n/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 2-alpha
(Homo sapiens (Human)) | BDBM50505824
(CHEMBL4476462)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) | PDB
UniProtKB/SwissProt
antibodypedia
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| PC cid
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UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 1.60E+3 | n/a | n/a | n/a | n/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
BindingDB Entry DOI: 10.7270/Q2251NGG |
More data for this
Ligand-Target Pair | |
DNA topoisomerase 2-alpha/2-beta
(Homo sapiens (Human)) | BDBM50286501
(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 | PDB
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AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | n/a | n/a | 1.70E+3 | n/a | n/a | n/a | n/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 2-alpha
(Homo sapiens (Human)) | BDBM50505823
(CHEMBL4584155)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) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 1.70E+3 | n/a | n/a | n/a | n/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
BindingDB Entry DOI: 10.7270/Q2251NGG |
More data for this
Ligand-Target Pair | |
DNA topoisomerase 2-alpha/2-beta
(Homo sapiens (Human)) | BDBM50286485
(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 | PDB
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AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | n/a | n/a | 1.70E+3 | n/a | n/a | n/a | n/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 2-alpha/2-beta
(Homo sapiens (Human)) | BDBM50286494
(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 |wU:6.9,3.2,(17.41,1.96,;15.87,1.96,;15.1,3.29,;15.1,.63,;15.87,-.71,;15.1,-2.03,;13.58,-2.03,;12.79,-.71,;13.56,.63,;12.81,-3.37,;11.29,-3.52,;10.97,-5.04,;12.3,-5.81,;12.3,-7.35,;10.97,-8.12,;10.97,-9.66,;10.2,-11,;11.74,-10.99,;9.64,-7.35,;8.31,-8.12,;8.31,-9.66,;6.96,-7.35,;6.96,-5.81,;5.62,-5.04,;8.31,-5.04,;9.64,-5.81,;5.63,-8.12,;4.29,-7.35,;2.96,-8.12,;1.61,-7.33,;2.96,-9.66,;4.3,-10.43,;4.32,-11.97,;5.63,-9.66,;13.45,-4.76,;14.96,-5.07,)| 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+ | PDB
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| Article
| n/a | n/a | n/a | n/a | 1.70E+3 | n/a | n/a | n/a | n/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 2-alpha/2-beta
(Homo sapiens (Human)) | BDBM50212726
(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+ | PDB
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PC sid
UniChem
Similars
| | n/a | n/a | n/a | n/a | 1.70E+3 | n/a | n/a | n/a | n/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 2-alpha/2-beta
(Homo sapiens (Human)) | BDBM50212604
(CHEMBL422265)Show SMILES CN\N=c1/ccn(C2CC2)c2c(F)c(c(F)cc12)-c1cc(C)nc(C)c1 Show InChI InChI=1S/C20H20F2N4/c1-11-8-13(9-12(2)24-11)18-16(21)10-15-17(25-23-3)6-7-26(14-4-5-14)20(15)19(18)22/h6-10,14,23H,4-5H2,1-3H3/b25-17+ | PDB
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| CHEMBL
PC cid
PC sid
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| | n/a | n/a | n/a | n/a | 1.90E+3 | n/a | n/a | n/a | n/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 2-alpha
(Homo sapiens (Human)) | BDBM50505828
(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) | PDB
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| PC cid
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UniChem
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| n/a | n/a | n/a | n/a | 1.90E+3 | n/a | n/a | n/a | n/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
BindingDB Entry DOI: 10.7270/Q2251NGG |
More data for this
Ligand-Target Pair | |
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