Found 31 hits Enz. Inhib. hit(s) with Target = 'DNA topoisomerase 1' and Ligand = 'BDBM50008923' Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kJ/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
DNA topoisomerase 1
(Homo sapiens (Human)) | BDBM50008923
((S)-4-ethyl-4-hydroxy-1,12-dihydro-4H-2-oxa-6,12a-...)Show SMILES CC[C@@]1(O)C(=O)OCc2c1cc1-c3nc4ccccc4cc3Cn1c2=O |r| Show InChI InChI=1S/C20H16N2O4/c1-2-20(25)14-8-16-17-12(7-11-5-3-4-6-15(11)21-17)9-22(16)18(23)13(14)10-26-19(20)24/h3-8,25H,2,9-10H2,1H3/t20-/m0/s1 | PDB
UniProtKB/SwissProt
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| PDB Article PubMed
| n/a | n/a | 25 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of recombinant human Top1 expressed in baculovirus infected sf9 insect cells using supercoiled pBS (SK+) DNA as substrate incubated for 30... |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.112551 BindingDB Entry DOI: 10.7270/Q2D79G56 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
DNA topoisomerase 1
(Homo sapiens (Human)) | BDBM50008923
((S)-4-ethyl-4-hydroxy-1,12-dihydro-4H-2-oxa-6,12a-...)Show SMILES CC[C@@]1(O)C(=O)OCc2c1cc1-c3nc4ccccc4cc3Cn1c2=O |r| Show InChI InChI=1S/C20H16N2O4/c1-2-20(25)14-8-16-17-12(7-11-5-3-4-6-15(11)21-17)9-22(16)18(23)13(14)10-26-19(20)24/h3-8,25H,2,9-10H2,1H3/t20-/m0/s1 | PDB
UniProtKB/SwissProt
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Similars
| PDB Article PubMed
| n/a | n/a | 25 | n/a | n/a | n/a | n/a | n/a | n/a |
CSIR-Indian Institute of Chemical Biology
Curated by ChEMBL
| Assay Description Poison activity at recombinant human TOP1 expressed in baculovirus infected Sf9 insect cells assessed as decrease in relaxed supercoiled pBS(SK+) DNA... |
J Med Chem 62: 3428-3446 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01938 BindingDB Entry DOI: 10.7270/Q2930XGW |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
DNA topoisomerase 1
(Homo sapiens (Human)) | BDBM50008923
((S)-4-ethyl-4-hydroxy-1,12-dihydro-4H-2-oxa-6,12a-...)Show SMILES CC[C@@]1(O)C(=O)OCc2c1cc1-c3nc4ccccc4cc3Cn1c2=O |r| Show InChI InChI=1S/C20H16N2O4/c1-2-20(25)14-8-16-17-12(7-11-5-3-4-6-15(11)21-17)9-22(16)18(23)13(14)10-26-19(20)24/h3-8,25H,2,9-10H2,1H3/t20-/m0/s1 | PDB
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| PDB Article PubMed
| n/a | n/a | 62 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of human topoisomerase-1 beta incubated for 2 hrs by ELISA |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.112870 BindingDB Entry DOI: 10.7270/Q21Z4846 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
DNA topoisomerase 1
(Homo sapiens (Human)) | BDBM50008923
((S)-4-ethyl-4-hydroxy-1,12-dihydro-4H-2-oxa-6,12a-...)Show SMILES CC[C@@]1(O)C(=O)OCc2c1cc1-c3nc4ccccc4cc3Cn1c2=O |r| Show InChI InChI=1S/C20H16N2O4/c1-2-20(25)14-8-16-17-12(7-11-5-3-4-6-15(11)21-17)9-22(16)18(23)13(14)10-26-19(20)24/h3-8,25H,2,9-10H2,1H3/t20-/m0/s1 | PDB
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| n/a | n/a | 224 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of P-glycoprotein expressed in MDCK-MDR1 cells by calcein AM assay |
Citation and Details
|
More data for this Ligand-Target Pair | 3D Structure (crystal) |
DNA topoisomerase 1
(Homo sapiens (Human)) | BDBM50008923
((S)-4-ethyl-4-hydroxy-1,12-dihydro-4H-2-oxa-6,12a-...)Show SMILES CC[C@@]1(O)C(=O)OCc2c1cc1-c3nc4ccccc4cc3Cn1c2=O |r| Show InChI InChI=1S/C20H16N2O4/c1-2-20(25)14-8-16-17-12(7-11-5-3-4-6-15(11)21-17)9-22(16)18(23)13(14)10-26-19(20)24/h3-8,25H,2,9-10H2,1H3/t20-/m0/s1 | PDB
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| PDB Article PubMed
| n/a | n/a | 300 | n/a | n/a | n/a | n/a | n/a | n/a |
deCODE BioStructures
Curated by ChEMBL
| Assay Description Inhibition of topoisomerase I-DNA complex in trapping assay |
J Med Chem 48: 2336-45 (2005)
Article DOI: 10.1021/jm049146p BindingDB Entry DOI: 10.7270/Q2CF9QVT |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
DNA topoisomerase 1
(Homo sapiens (Human)) | BDBM50008923
((S)-4-ethyl-4-hydroxy-1,12-dihydro-4H-2-oxa-6,12a-...)Show SMILES CC[C@@]1(O)C(=O)OCc2c1cc1-c3nc4ccccc4cc3Cn1c2=O |r| Show InChI InChI=1S/C20H16N2O4/c1-2-20(25)14-8-16-17-12(7-11-5-3-4-6-15(11)21-17)9-22(16)18(23)13(14)10-26-19(20)24/h3-8,25H,2,9-10H2,1H3/t20-/m0/s1 | PDB
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| PDB PubMed
| n/a | n/a | 679 | n/a | n/a | n/a | n/a | n/a | n/a |
Glaxo Research Institute
Curated by ChEMBL
| Assay Description Inhibition of topoisomerase I activity was determined in vitro by using the cleavable complex assay(calf thymus) |
J Med Chem 38: 395-401 (1995)
BindingDB Entry DOI: 10.7270/Q2F47N67 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
DNA topoisomerase 1
(Homo sapiens (Human)) | BDBM50008923
((S)-4-ethyl-4-hydroxy-1,12-dihydro-4H-2-oxa-6,12a-...)Show SMILES CC[C@@]1(O)C(=O)OCc2c1cc1-c3nc4ccccc4cc3Cn1c2=O |r| Show InChI InChI=1S/C20H16N2O4/c1-2-20(25)14-8-16-17-12(7-11-5-3-4-6-15(11)21-17)9-22(16)18(23)13(14)10-26-19(20)24/h3-8,25H,2,9-10H2,1H3/t20-/m0/s1 | PDB
UniProtKB/SwissProt
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| PDB PubMed
| n/a | n/a | 680 | n/a | n/a | n/a | n/a | n/a | n/a |
Research Triangle Institute
Curated by ChEMBL
| Assay Description Inhibition of Topoisomerase I by cleavage complex formation in human HL-60 cells |
J Med Chem 36: 2689-700 (1993)
BindingDB Entry DOI: 10.7270/Q2KP82RH |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
DNA topoisomerase 1
(Homo sapiens (Human)) | BDBM50008923
((S)-4-ethyl-4-hydroxy-1,12-dihydro-4H-2-oxa-6,12a-...)Show SMILES CC[C@@]1(O)C(=O)OCc2c1cc1-c3nc4ccccc4cc3Cn1c2=O |r| Show InChI InChI=1S/C20H16N2O4/c1-2-20(25)14-8-16-17-12(7-11-5-3-4-6-15(11)21-17)9-22(16)18(23)13(14)10-26-19(20)24/h3-8,25H,2,9-10H2,1H3/t20-/m0/s1 | PDB
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| PDB Article
| n/a | n/a | 700 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Ability of the compound to satbilize DNA-topoisomerase (from calf) I-compound ternary complex was determined |
Bioorg Med Chem Lett 4: 2753-2758 (1994)
Article DOI: 10.1016/S0960-894X(01)80589-8 BindingDB Entry DOI: 10.7270/Q2DR2VFV |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
DNA topoisomerase 1
(Homo sapiens (Human)) | BDBM50008923
((S)-4-ethyl-4-hydroxy-1,12-dihydro-4H-2-oxa-6,12a-...)Show SMILES CC[C@@]1(O)C(=O)OCc2c1cc1-c3nc4ccccc4cc3Cn1c2=O |r| Show InChI InChI=1S/C20H16N2O4/c1-2-20(25)14-8-16-17-12(7-11-5-3-4-6-15(11)21-17)9-22(16)18(23)13(14)10-26-19(20)24/h3-8,25H,2,9-10H2,1H3/t20-/m0/s1 | PDB
UniProtKB/SwissProt
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Patents
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| PDB PubMed
| n/a | n/a | 700 | n/a | n/a | n/a | n/a | n/a | n/a |
Glaxo Inc.
Curated by ChEMBL
| Assay Description In vitro fragmentation of DNA in the presence of excess calf thymus topoisomerase. |
J Med Chem 38: 1106-18 (1995)
BindingDB Entry DOI: 10.7270/Q2X067P4 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
DNA topoisomerase 1
(Homo sapiens (Human)) | BDBM50008923
((S)-4-ethyl-4-hydroxy-1,12-dihydro-4H-2-oxa-6,12a-...)Show SMILES CC[C@@]1(O)C(=O)OCc2c1cc1-c3nc4ccccc4cc3Cn1c2=O |r| Show InChI InChI=1S/C20H16N2O4/c1-2-20(25)14-8-16-17-12(7-11-5-3-4-6-15(11)21-17)9-22(16)18(23)13(14)10-26-19(20)24/h3-8,25H,2,9-10H2,1H3/t20-/m0/s1 | PDB
UniProtKB/SwissProt
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CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem
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| PDB Article PubMed
| n/a | n/a | 700 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Alberta
Curated by ChEMBL
| Assay Description Inhibit supercoil relaxation property of topoisomerase I. |
J Med Chem 40: 216-25 (1997)
Article DOI: 10.1021/jm9605804 BindingDB Entry DOI: 10.7270/Q2F47PS8 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
DNA topoisomerase 1
(Homo sapiens (Human)) | BDBM50008923
((S)-4-ethyl-4-hydroxy-1,12-dihydro-4H-2-oxa-6,12a-...)Show SMILES CC[C@@]1(O)C(=O)OCc2c1cc1-c3nc4ccccc4cc3Cn1c2=O |r| Show InChI InChI=1S/C20H16N2O4/c1-2-20(25)14-8-16-17-12(7-11-5-3-4-6-15(11)21-17)9-22(16)18(23)13(14)10-26-19(20)24/h3-8,25H,2,9-10H2,1H3/t20-/m0/s1 | PDB
UniProtKB/SwissProt
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| PDB Article
| n/a | n/a | 700 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Ability to inhibit calf thymus topoisomerase I when assayed in the cleavable complex formation |
Bioorg Med Chem Lett 5: 2129-2132 (1995)
Article DOI: 10.1016/0960-894X(95)00360-6 BindingDB Entry DOI: 10.7270/Q20Z7379 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
DNA topoisomerase 1
(Homo sapiens (Human)) | BDBM50008923
((S)-4-ethyl-4-hydroxy-1,12-dihydro-4H-2-oxa-6,12a-...)Show SMILES CC[C@@]1(O)C(=O)OCc2c1cc1-c3nc4ccccc4cc3Cn1c2=O |r| Show InChI InChI=1S/C20H16N2O4/c1-2-20(25)14-8-16-17-12(7-11-5-3-4-6-15(11)21-17)9-22(16)18(23)13(14)10-26-19(20)24/h3-8,25H,2,9-10H2,1H3/t20-/m0/s1 | PDB
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| PDB Article PubMed
| n/a | n/a | 2.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Kaohsiung Medical University
Curated by ChEMBL
| Assay Description Inhibition of human topoisomerase 1 assessed as decrease in pBR322 mobility on agarose gel by electrophoresis |
J Med Chem 53: 6164-79 (2010)
Article DOI: 10.1021/jm1005447 BindingDB Entry DOI: 10.7270/Q2BZ6710 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
DNA topoisomerase 1
(Homo sapiens (Human)) | BDBM50008923
((S)-4-ethyl-4-hydroxy-1,12-dihydro-4H-2-oxa-6,12a-...)Show SMILES CC[C@@]1(O)C(=O)OCc2c1cc1-c3nc4ccccc4cc3Cn1c2=O |r| Show InChI InChI=1S/C20H16N2O4/c1-2-20(25)14-8-16-17-12(7-11-5-3-4-6-15(11)21-17)9-22(16)18(23)13(14)10-26-19(20)24/h3-8,25H,2,9-10H2,1H3/t20-/m0/s1 | PDB
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Similars
| PDB Article PubMed
| n/a | n/a | 2.43E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00635 BindingDB Entry DOI: 10.7270/Q27M0CZ3 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
DNA topoisomerase 1
(Homo sapiens (Human)) | BDBM50008923
((S)-4-ethyl-4-hydroxy-1,12-dihydro-4H-2-oxa-6,12a-...)Show SMILES CC[C@@]1(O)C(=O)OCc2c1cc1-c3nc4ccccc4cc3Cn1c2=O |r| Show InChI InChI=1S/C20H16N2O4/c1-2-20(25)14-8-16-17-12(7-11-5-3-4-6-15(11)21-17)9-22(16)18(23)13(14)10-26-19(20)24/h3-8,25H,2,9-10H2,1H3/t20-/m0/s1 | PDB
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CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem
Patents
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| PDB Article PubMed
| n/a | n/a | 2.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of Top1 in human MCF7 cells using supercoiled pBS (SK+) DNA as substrate incubated for 30 mins by ethidium bromide staining based agarose ... |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.112551 BindingDB Entry DOI: 10.7270/Q2D79G56 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
DNA topoisomerase 1
(Homo sapiens (Human)) | BDBM50008923
((S)-4-ethyl-4-hydroxy-1,12-dihydro-4H-2-oxa-6,12a-...)Show SMILES CC[C@@]1(O)C(=O)OCc2c1cc1-c3nc4ccccc4cc3Cn1c2=O |r| Show InChI InChI=1S/C20H16N2O4/c1-2-20(25)14-8-16-17-12(7-11-5-3-4-6-15(11)21-17)9-22(16)18(23)13(14)10-26-19(20)24/h3-8,25H,2,9-10H2,1H3/t20-/m0/s1 | PDB
UniProtKB/SwissProt
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CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem
Patents
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| PDB Article PubMed
| n/a | n/a | 2.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
CSIR-Indian Institute of Chemical Biology
Curated by ChEMBL
| Assay Description Poison activity at TOP1 in human MCF7 cells assessed as decrease in relaxed supercoiled pBS(SK+) DNA mobility measured after 30 mins by ethidium brom... |
J Med Chem 62: 3428-3446 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01938 BindingDB Entry DOI: 10.7270/Q2930XGW |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
DNA topoisomerase 1
(Homo sapiens (Human)) | BDBM50008923
((S)-4-ethyl-4-hydroxy-1,12-dihydro-4H-2-oxa-6,12a-...)Show SMILES CC[C@@]1(O)C(=O)OCc2c1cc1-c3nc4ccccc4cc3Cn1c2=O |r| Show InChI InChI=1S/C20H16N2O4/c1-2-20(25)14-8-16-17-12(7-11-5-3-4-6-15(11)21-17)9-22(16)18(23)13(14)10-26-19(20)24/h3-8,25H,2,9-10H2,1H3/t20-/m0/s1 | PDB
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Similars
| PDB Article
| n/a | n/a | 3.75E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of DNA topoisomerase 1 in Homo sapiens (human) SW480 cells |
Citation and Details
Article DOI: 10.1007/s00044-009-9233-5 BindingDB Entry DOI: 10.7270/Q27M0BVB |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
DNA topoisomerase 1
(Homo sapiens (Human)) | BDBM50008923
((S)-4-ethyl-4-hydroxy-1,12-dihydro-4H-2-oxa-6,12a-...)Show SMILES CC[C@@]1(O)C(=O)OCc2c1cc1-c3nc4ccccc4cc3Cn1c2=O |r| Show InChI InChI=1S/C20H16N2O4/c1-2-20(25)14-8-16-17-12(7-11-5-3-4-6-15(11)21-17)9-22(16)18(23)13(14)10-26-19(20)24/h3-8,25H,2,9-10H2,1H3/t20-/m0/s1 | PDB
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Patents
Similars
| PDB PubMed
| n/a | n/a | 4.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Kumamoto University
Curated by ChEMBL
| Assay Description Inhibition topoisomerase 1 in human A549 cells assessed as conversion of supercoiled pBR322 DNA to relaxed form |
J Nat Prod 64: 204-7 (2001)
BindingDB Entry DOI: 10.7270/Q2W37W21 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
DNA topoisomerase 1
(Homo sapiens (Human)) | BDBM50008923
((S)-4-ethyl-4-hydroxy-1,12-dihydro-4H-2-oxa-6,12a-...)Show SMILES CC[C@@]1(O)C(=O)OCc2c1cc1-c3nc4ccccc4cc3Cn1c2=O |r| Show InChI InChI=1S/C20H16N2O4/c1-2-20(25)14-8-16-17-12(7-11-5-3-4-6-15(11)21-17)9-22(16)18(23)13(14)10-26-19(20)24/h3-8,25H,2,9-10H2,1H3/t20-/m0/s1 | PDB
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Patents
Similars
| PDB Article
| n/a | n/a | 4.75E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of DNA topoisomerase 1 in Homo sapiens (human) HCT116 cells |
Citation and Details
Article DOI: 10.1007/s00044-009-9233-5 BindingDB Entry DOI: 10.7270/Q27M0BVB |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
DNA topoisomerase 1
(Homo sapiens (Human)) | BDBM50008923
((S)-4-ethyl-4-hydroxy-1,12-dihydro-4H-2-oxa-6,12a-...)Show SMILES CC[C@@]1(O)C(=O)OCc2c1cc1-c3nc4ccccc4cc3Cn1c2=O |r| Show InChI InChI=1S/C20H16N2O4/c1-2-20(25)14-8-16-17-12(7-11-5-3-4-6-15(11)21-17)9-22(16)18(23)13(14)10-26-19(20)24/h3-8,25H,2,9-10H2,1H3/t20-/m0/s1 | PDB
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CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article
| n/a | n/a | 4.95E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of DNA topoisomerase 1 in Homo sapiens (human) VACO 241 cells |
Citation and Details
Article DOI: 10.1007/s00044-009-9233-5 BindingDB Entry DOI: 10.7270/Q27M0BVB |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
DNA topoisomerase 1
(Homo sapiens (Human)) | BDBM50008923
((S)-4-ethyl-4-hydroxy-1,12-dihydro-4H-2-oxa-6,12a-...)Show SMILES CC[C@@]1(O)C(=O)OCc2c1cc1-c3nc4ccccc4cc3Cn1c2=O |r| Show InChI InChI=1S/C20H16N2O4/c1-2-20(25)14-8-16-17-12(7-11-5-3-4-6-15(11)21-17)9-22(16)18(23)13(14)10-26-19(20)24/h3-8,25H,2,9-10H2,1H3/t20-/m0/s1 | PDB
UniProtKB/SwissProt
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CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem
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| PDB PubMed
| n/a | n/a | 9.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Kumamoto University
Curated by ChEMBL
| Assay Description Inhibition topoisomerase 1 in human HeLa cells assessed as conversion of supercoiled pBR322 DNA to relaxed form |
J Nat Prod 64: 204-7 (2001)
BindingDB Entry DOI: 10.7270/Q2W37W21 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
DNA topoisomerase 1
(Mus musculus) | BDBM50008923
((S)-4-ethyl-4-hydroxy-1,12-dihydro-4H-2-oxa-6,12a-...)Show SMILES CC[C@@]1(O)C(=O)OCc2c1cc1-c3nc4ccccc4cc3Cn1c2=O |r| Show InChI InChI=1S/C20H16N2O4/c1-2-20(25)14-8-16-17-12(7-11-5-3-4-6-15(11)21-17)9-22(16)18(23)13(14)10-26-19(20)24/h3-8,25H,2,9-10H2,1H3/t20-/m0/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
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| PDB PubMed
| n/a | n/a | 1.20E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Kumamoto University
Curated by ChEMBL
| Assay Description Inhibition topoisomerase 1 in mouse NIH/3T3 cells assessed as conversion of supercoiled pBR322 DNA to relaxed form |
J Nat Prod 64: 204-7 (2001)
BindingDB Entry DOI: 10.7270/Q2W37W21 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
DNA topoisomerase 1
(Homo sapiens (Human)) | BDBM50008923
((S)-4-ethyl-4-hydroxy-1,12-dihydro-4H-2-oxa-6,12a-...)Show SMILES CC[C@@]1(O)C(=O)OCc2c1cc1-c3nc4ccccc4cc3Cn1c2=O |r| Show InChI InChI=1S/C20H16N2O4/c1-2-20(25)14-8-16-17-12(7-11-5-3-4-6-15(11)21-17)9-22(16)18(23)13(14)10-26-19(20)24/h3-8,25H,2,9-10H2,1H3/t20-/m0/s1 | PDB
UniProtKB/SwissProt
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CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem
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| PDB PubMed
| n/a | n/a | 1.70E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Kumamoto University
Curated by ChEMBL
| Assay Description Inhibition topoisomerase 1 in human COLO201 cells assessed as conversion of supercoiled pBR322 DNA to relaxed form |
J Nat Prod 64: 204-7 (2001)
BindingDB Entry DOI: 10.7270/Q2W37W21 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
DNA topoisomerase 1
(Homo sapiens (Human)) | BDBM50008923
((S)-4-ethyl-4-hydroxy-1,12-dihydro-4H-2-oxa-6,12a-...)Show SMILES CC[C@@]1(O)C(=O)OCc2c1cc1-c3nc4ccccc4cc3Cn1c2=O |r| Show InChI InChI=1S/C20H16N2O4/c1-2-20(25)14-8-16-17-12(7-11-5-3-4-6-15(11)21-17)9-22(16)18(23)13(14)10-26-19(20)24/h3-8,25H,2,9-10H2,1H3/t20-/m0/s1 | PDB
UniProtKB/SwissProt
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| PDB Article PubMed
| n/a | n/a | 2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Kobe Pharmaceutical University
Curated by ChEMBL
| Assay Description Inhibition of human recombinant DNA topoisomerase1 |
J Nat Prod 68: 848-52 (2005)
Article DOI: 10.1021/np058007n BindingDB Entry DOI: 10.7270/Q2PK0H1B |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
DNA topoisomerase 1
(Homo sapiens (Human)) | BDBM50008923
((S)-4-ethyl-4-hydroxy-1,12-dihydro-4H-2-oxa-6,12a-...)Show SMILES CC[C@@]1(O)C(=O)OCc2c1cc1-c3nc4ccccc4cc3Cn1c2=O |r| Show InChI InChI=1S/C20H16N2O4/c1-2-20(25)14-8-16-17-12(7-11-5-3-4-6-15(11)21-17)9-22(16)18(23)13(14)10-26-19(20)24/h3-8,25H,2,9-10H2,1H3/t20-/m0/s1 | PDB
UniProtKB/SwissProt
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| PDB Article PubMed
| n/a | n/a | 2.00E+4 | n/a | n/a | n/a | n/a | 7.8 | 37 |
Medical University
| Assay Description Supercoiled pHOT1 DNA (0.5 μg) was incubated with four units of human topoisomerase I in relaxation buffer (10mM Tris-HCl (pH 7.8), 1mM EDTA, 0.15... |
J Enzyme Inhib Med Chem 29: 243-8 (2014)
Article DOI: 10.3109/14756366.2013.768987 BindingDB Entry DOI: 10.7270/Q2416W07 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
DNA topoisomerase 1
(Homo sapiens (Human)) | BDBM50008923
((S)-4-ethyl-4-hydroxy-1,12-dihydro-4H-2-oxa-6,12a-...)Show SMILES CC[C@@]1(O)C(=O)OCc2c1cc1-c3nc4ccccc4cc3Cn1c2=O |r| Show InChI InChI=1S/C20H16N2O4/c1-2-20(25)14-8-16-17-12(7-11-5-3-4-6-15(11)21-17)9-22(16)18(23)13(14)10-26-19(20)24/h3-8,25H,2,9-10H2,1H3/t20-/m0/s1 | PDB
UniProtKB/SwissProt
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| PDB Article PubMed
| n/a | n/a | 2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2022.114465 BindingDB Entry DOI: 10.7270/Q27P93F5 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
DNA topoisomerase 1
(Cercopithecus aethiops) | BDBM50008923
((S)-4-ethyl-4-hydroxy-1,12-dihydro-4H-2-oxa-6,12a-...)Show SMILES CC[C@@]1(O)C(=O)OCc2c1cc1-c3nc4ccccc4cc3Cn1c2=O |r| Show InChI InChI=1S/C20H16N2O4/c1-2-20(25)14-8-16-17-12(7-11-5-3-4-6-15(11)21-17)9-22(16)18(23)13(14)10-26-19(20)24/h3-8,25H,2,9-10H2,1H3/t20-/m0/s1 | PDB MMDB
UniProtKB/SwissProt
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CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem
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| PDB PubMed
| n/a | n/a | 2.70E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Kumamoto University
Curated by ChEMBL
| Assay Description Inhibition topoisomerase 1 in african green monkey Vero cells assessed as conversion of supercoiled pBR322 DNA to relaxed form |
J Nat Prod 64: 204-7 (2001)
BindingDB Entry DOI: 10.7270/Q2W37W21 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
DNA topoisomerase 1
(Homo sapiens (Human)) | BDBM50008923
((S)-4-ethyl-4-hydroxy-1,12-dihydro-4H-2-oxa-6,12a-...)Show SMILES CC[C@@]1(O)C(=O)OCc2c1cc1-c3nc4ccccc4cc3Cn1c2=O |r| Show InChI InChI=1S/C20H16N2O4/c1-2-20(25)14-8-16-17-12(7-11-5-3-4-6-15(11)21-17)9-22(16)18(23)13(14)10-26-19(20)24/h3-8,25H,2,9-10H2,1H3/t20-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
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CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem
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| PDB Article PubMed
| n/a | n/a | 2.70E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Iowa
Curated by ChEMBL
| Assay Description Inhibition of human topoisomerase 1 using supercoiled pBR322 plasmid DNA as substrate after 15 mins by ethidium bromide staining based agarose gel el... |
Eur J Med Chem 172: 109-130 (2019)
Article DOI: 10.1016/j.ejmech.2019.03.040 BindingDB Entry DOI: 10.7270/Q2H1359V |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
DNA topoisomerase 1
(Mus musculus) | BDBM50008923
((S)-4-ethyl-4-hydroxy-1,12-dihydro-4H-2-oxa-6,12a-...)Show SMILES CC[C@@]1(O)C(=O)OCc2c1cc1-c3nc4ccccc4cc3Cn1c2=O |r| Show InChI InChI=1S/C20H16N2O4/c1-2-20(25)14-8-16-17-12(7-11-5-3-4-6-15(11)21-17)9-22(16)18(23)13(14)10-26-19(20)24/h3-8,25H,2,9-10H2,1H3/t20-/m0/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
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CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem
Patents
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| PDB PubMed
| n/a | n/a | 4.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Life Science Research Center
Curated by ChEMBL
| Assay Description Average concentration to cause 50% inhibition of topo 1 using the cleavable complex assay |
J Med Chem 44: 1594-602 (2001)
BindingDB Entry DOI: 10.7270/Q2C828KG |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
DNA topoisomerase 1
(Homo sapiens (Human)) | BDBM50008923
((S)-4-ethyl-4-hydroxy-1,12-dihydro-4H-2-oxa-6,12a-...)Show SMILES CC[C@@]1(O)C(=O)OCc2c1cc1-c3nc4ccccc4cc3Cn1c2=O |r| Show InChI InChI=1S/C20H16N2O4/c1-2-20(25)14-8-16-17-12(7-11-5-3-4-6-15(11)21-17)9-22(16)18(23)13(14)10-26-19(20)24/h3-8,25H,2,9-10H2,1H3/t20-/m0/s1 | PDB
UniProtKB/SwissProt
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CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem
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| PDB Article PubMed
| n/a | n/a | 6.29E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of human topoisomerase 1 |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c00727 BindingDB Entry DOI: 10.7270/Q2028W6S |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
DNA topoisomerase 1
(Homo sapiens (Human)) | BDBM50008923
((S)-4-ethyl-4-hydroxy-1,12-dihydro-4H-2-oxa-6,12a-...)Show SMILES CC[C@@]1(O)C(=O)OCc2c1cc1-c3nc4ccccc4cc3Cn1c2=O |r| Show InChI InChI=1S/C20H16N2O4/c1-2-20(25)14-8-16-17-12(7-11-5-3-4-6-15(11)21-17)9-22(16)18(23)13(14)10-26-19(20)24/h3-8,25H,2,9-10H2,1H3/t20-/m0/s1 | PDB
UniProtKB/SwissProt
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CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem
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| PDB PubMed
| n/a | n/a | 1.27E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Chungnam National University
Curated by ChEMBL
| Assay Description Inhibitory activity against DNA topoisomerase-I obtained from Hela cells |
J Med Chem 38: 1044-7 (1995)
BindingDB Entry DOI: 10.7270/Q2610ZCB |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
DNA topoisomerase 1
(Homo sapiens (Human)) | BDBM50008923
((S)-4-ethyl-4-hydroxy-1,12-dihydro-4H-2-oxa-6,12a-...)Show SMILES CC[C@@]1(O)C(=O)OCc2c1cc1-c3nc4ccccc4cc3Cn1c2=O |r| Show InChI InChI=1S/C20H16N2O4/c1-2-20(25)14-8-16-17-12(7-11-5-3-4-6-15(11)21-17)9-22(16)18(23)13(14)10-26-19(20)24/h3-8,25H,2,9-10H2,1H3/t20-/m0/s1 | PDB
UniProtKB/SwissProt
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CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem
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| PDB Article PubMed
| n/a | n/a | n/a | n/a | 350 | n/a | n/a | n/a | n/a |
Research Triangle Institute
Curated by ChEMBL
| Assay Description Effective concentration against DNA topoisomerase I |
Bioorg Med Chem Lett 14: 5377-81 (2004)
Article DOI: 10.1016/j.bmcl.2004.08.010 BindingDB Entry DOI: 10.7270/Q2D799WJ |
More data for this Ligand-Target Pair | 3D Structure (crystal) |