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 (592/592 = 100%)† (Homo sapiens (Human)) | BDBM50008923 ((S)-4-ethyl-4-hydroxy-1,12-dihydro-4H-2-oxa-6,12a-...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars | 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 (592/592 = 100%)† (Homo sapiens (Human)) | BDBM50008923 ((S)-4-ethyl-4-hydroxy-1,12-dihydro-4H-2-oxa-6,12a-...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars | 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 (592/592 = 100%)† (Homo sapiens (Human)) | BDBM50008923 ((S)-4-ethyl-4-hydroxy-1,12-dihydro-4H-2-oxa-6,12a-...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars | 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 (592/592 = 100%)† (Homo sapiens (Human)) | BDBM50008923 ((S)-4-ethyl-4-hydroxy-1,12-dihydro-4H-2-oxa-6,12a-...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars | 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 (592/592 = 100%)† (Homo sapiens (Human)) | BDBM50008923 ((S)-4-ethyl-4-hydroxy-1,12-dihydro-4H-2-oxa-6,12a-...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars | 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 (592/592 = 100%)† (Homo sapiens (Human)) | BDBM50008923 ((S)-4-ethyl-4-hydroxy-1,12-dihydro-4H-2-oxa-6,12a-...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars | 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 (592/592 = 100%)† (Homo sapiens (Human)) | BDBM50008923 ((S)-4-ethyl-4-hydroxy-1,12-dihydro-4H-2-oxa-6,12a-...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars | 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 (592/592 = 100%)† (Homo sapiens (Human)) | BDBM50045363 ((20R)-4-Ethyl-4-hydroxy-1,12-dihydro-4H-2-oxa-6,12...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars | PDB PubMed | n/a | n/a | 1.40E+3 | 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 (592/592 = 100%)† (Homo sapiens (Human)) | BDBM50045363 ((20R)-4-Ethyl-4-hydroxy-1,12-dihydro-4H-2-oxa-6,12...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars | PDB PubMed | n/a | n/a | 1.60E+3 | 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 intact 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 (592/592 = 100%)† (Homo sapiens (Human)) | BDBM50008923 ((S)-4-ethyl-4-hydroxy-1,12-dihydro-4H-2-oxa-6,12a-...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars | 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 (592/592 = 100%)† (Homo sapiens (Human)) | BDBM50008923 ((S)-4-ethyl-4-hydroxy-1,12-dihydro-4H-2-oxa-6,12a-...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents 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 (592/592 = 100%)† (Homo sapiens (Human)) | BDBM50008923 ((S)-4-ethyl-4-hydroxy-1,12-dihydro-4H-2-oxa-6,12a-...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem 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 (592/592 = 100%)† (Homo sapiens (Human)) | BDBM50008923 ((S)-4-ethyl-4-hydroxy-1,12-dihydro-4H-2-oxa-6,12a-...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem 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 (592/592 = 100%)† (Homo sapiens (Human)) | BDBM50008923 ((S)-4-ethyl-4-hydroxy-1,12-dihydro-4H-2-oxa-6,12a-...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase 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 (592/592 = 100%)† (Homo sapiens (Human)) | BDBM50008923 ((S)-4-ethyl-4-hydroxy-1,12-dihydro-4H-2-oxa-6,12a-...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars | 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 (580/592 = 98%)† (Mus musculus) | BDBM50008923 ((S)-4-ethyl-4-hydroxy-1,12-dihydro-4H-2-oxa-6,12a-...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars | 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 (592/592 = 100%)† (Homo sapiens (Human)) | BDBM50008923 ((S)-4-ethyl-4-hydroxy-1,12-dihydro-4H-2-oxa-6,12a-...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars | 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 (592/592 = 100%)† (Homo sapiens (Human)) | BDBM50008923 ((S)-4-ethyl-4-hydroxy-1,12-dihydro-4H-2-oxa-6,12a-...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars | 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 (592/592 = 100%)† (Homo sapiens (Human)) | BDBM50008923 ((S)-4-ethyl-4-hydroxy-1,12-dihydro-4H-2-oxa-6,12a-...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars | 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 (588/592 > 99%)† (Cercopithecus aethiops) | BDBM50008923 ((S)-4-ethyl-4-hydroxy-1,12-dihydro-4H-2-oxa-6,12a-...) | PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars | 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 (580/592 = 98%)† (Mus musculus) | BDBM50008923 ((S)-4-ethyl-4-hydroxy-1,12-dihydro-4H-2-oxa-6,12a-...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars | 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 (592/592 = 100%)† (Homo sapiens (Human)) | BDBM50008923 ((S)-4-ethyl-4-hydroxy-1,12-dihydro-4H-2-oxa-6,12a-...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars | 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 (592/592 = 100%)† (Homo sapiens (Human)) | BDBM50008923 ((S)-4-ethyl-4-hydroxy-1,12-dihydro-4H-2-oxa-6,12a-...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars | 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) |