BindingDB PrimarySearch

BDBM50008935 (20S)-10-Dimethylaminomethyl-4-ethyl-4,9-dihydroxy-1,12-dihydro-4H-2-oxa-6,12a-diaza-dibenzo[b,h]fluorene-3,13-dione::(4-Ethyl-4,9-dihydroxy-3,13-dioxo-3,4,12,13-tetrahydro-1H-2-oxa-6,12a-diaza-dibenzo[b,h]fluoren-10-ylmethyl)-dimethyl-ammonium::(S)-10-[(DIMETHYLAMINO)METHYL]-4-ETHYL-4,9-DIHYDROXY-1H-PYRANO[3'',4'':6,7]INOLIZINO[1,2-B]-QUINOLINE-3,14(4H,12H)-DIONE::(S)-10-dimethylaminomethyl-4-ethyl-4,9-dihydroxy-1,12-dihydro-4H-2-oxa-6,12a-diaza-dibenzo[b,h]fluorene-3,13-dione::(S)-11-Dimethylaminomethyl-4-ethyl-4,9-dihydroxy-1,12-dihydro-4H-2-oxa-6,12a-diaza-dibenzo[b,h]fluorene-3,13-dione::10-Dimethylaminomethyl-4-ethyl-4,9-dihydroxy-1,12-dihydro-4H-2-oxa-6,12a-diaza-dibenzo[b,h]fluorene-3,13-dione::10-Dimethylaminomethyl-4-ethyl-4,9-dihydroxy-1,12-dihydro-4H-2-oxa-6,12a-diaza-dibenzo[b,h]fluorene-3,13-dione (Topotecan)::10-Dimethylaminomethyl-4-ethyl-4,9-dihydroxy-1,12-dihydro-4H-2-oxa-6,12a-diaza-dibenzo[b,h]fluorene-3,13-dione(Topotecan)::10-dimethylaminomethyl-4-ethyl-4,9-dihydroxy-(4S)-3,4,12,14-tetrahydro-1H-pyrano[3'',4'':6,7]indolizino[1,2-b]quinoline-3,14-dione::CHEMBL84::Hycamtin::TOPOTECAN::TOPOTECAN HYDROCHLORIDE::cid_60700

SMILES: CC[C@@]1(O)C(=O)OCc2c1cc1-c3nc4ccc(O)c(CN(C)C)c4cc3Cn1c2=O

InChI Key: InChIKey=UCFGDBYHRUNTLO-QHCPKHFHSA-N

Data: 18 IC50 1 Kd 4 EC50

PDB links: 6 PDB IDs match this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 23 hits for monomerid = 50008935
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Cystic fibrosis transmembrane conductance regulator (Homo sapiens (Human))	BDBM50008935 ((20S)-10-Dimethylaminomethyl-4-ethyl-4,9-dihydroxy...) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PCBioAssay	n/a	n/a	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a
Southern Research Institute Curated by PubChem BioAssay									PubChem Bioassay (2016) BindingDB Entry DOI: 10.7270/Q2CZ35ZF
Southern Research Institute Curated by PubChem BioAssay					More data for this Ligand-Target Pair
DNA topoisomerase II (Homo sapiens (Human))	BDBM50008935 ((20S)-10-Dimethylaminomethyl-4-ethyl-4,9-dihydroxy...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	480	n/a	n/a	n/a	n/a	n/a	n/a
Kyushu Institute of Technology1-1 Sensuicho Curated by ChEMBL					Assay Description Inhibition of DNA topoisomerase 2 in human MCF7 cells incubated for 18 to 24 hrs by kinase assay				Bioorg Med Chem 27: (2019) Article DOI: 10.1016/j.bmc.2019.07.042
					More data for this Ligand-Target Pair
DNA topoisomerase I (Topo I) (Homo sapiens (Human))	BDBM50008935 ((20S)-10-Dimethylaminomethyl-4-ethyl-4,9-dihydroxy...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Wellcome Research Institute Curated by ChEMBL					Assay Description Average concentration of compound to cause 50% inhibition of topoisomerase-I isolated from calf thymus				J Med Chem 39: 713-9 (1996) Article DOI: 10.1021/jm950507y BindingDB Entry DOI: 10.7270/Q2416W41
Glaxo Wellcome Research Institute Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
DNA topoisomerase I (Mus musculus)	BDBM50008935 ((20S)-10-Dimethylaminomethyl-4-ethyl-4,9-dihydroxy...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	n/a	n/a	2.00E+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
Life Science Research Center Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Hypoxia-inducible factor 1-alpha (Homo sapiens (Human))	BDBM50008935 ((20S)-10-Dimethylaminomethyl-4-ethyl-4,9-dihydroxy...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	>3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Piramal Life Sciences Curated by ChEMBL					Assay Description Inhibition of HIF1alpha in human U251 cells under normoxic condition by luciferase reporter gene assay				Bioorg Med Chem Lett 20: 6426-9 (2010) Article DOI: 10.1016/j.bmcl.2010.09.083 BindingDB Entry DOI: 10.7270/Q2HX1CXM
Piramal Life Sciences Curated by ChEMBL					More data for this Ligand-Target Pair
Hypoxia-inducible factor 1-alpha (Homo sapiens (Human))	BDBM50008935 ((20S)-10-Dimethylaminomethyl-4-ethyl-4,9-dihydroxy...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
Piramal Life Sciences Curated by ChEMBL					Assay Description Inhibition of HIF1alpha in human U251 cells under hypoxic condition by luciferase reporter gene assay				Bioorg Med Chem Lett 20: 6426-9 (2010) Article DOI: 10.1016/j.bmcl.2010.09.083 BindingDB Entry DOI: 10.7270/Q2HX1CXM
Piramal Life Sciences Curated by ChEMBL					More data for this Ligand-Target Pair
DNA topoisomerase I (Topo I) (Homo sapiens (Human))	BDBM50008935 ((20S)-10-Dimethylaminomethyl-4-ethyl-4,9-dihydroxy...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	n/a	n/a	1.00E+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
Research Triangle Institute Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
DNA topoisomerase I (Topo I) (Homo sapiens (Human))	BDBM50008935 ((20S)-10-Dimethylaminomethyl-4-ethyl-4,9-dihydroxy...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	n/a	n/a	1.08E+3	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
Glaxo Inc. Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
DNA topoisomerase I (Topo I) (Homo sapiens (Human))	BDBM50008935 ((20S)-10-Dimethylaminomethyl-4-ethyl-4,9-dihydroxy...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	50	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
deCODE BioStructures Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Multidrug and toxin extrusion protein 2 (Homo sapiens (Human))	BDBM50008935 ((20S)-10-Dimethylaminomethyl-4-ethyl-4,9-dihydroxy...) Show SMILES Show InChI	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	8.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of human MATE2K-mediated ASP+ uptake expressed in HEK293 cells after 1.5 mins by fluorescence assay				J Med Chem 56: 781-95 (2013) Article DOI: 10.1021/jm301302s BindingDB Entry DOI: 10.7270/Q2F76DWZ
University of California Curated by ChEMBL					More data for this Ligand-Target Pair
Multidrug and toxin extrusion protein 1 (Homo sapiens (Human))	BDBM50008935 ((20S)-10-Dimethylaminomethyl-4-ethyl-4,9-dihydroxy...) Show SMILES Show InChI	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of human MATE1-mediated ASP+ uptake expressed in HEK293 cells after 1.5 mins by fluorescence assay				J Med Chem 56: 781-95 (2013) Article DOI: 10.1021/jm301302s BindingDB Entry DOI: 10.7270/Q2F76DWZ
University of California Curated by ChEMBL					More data for this Ligand-Target Pair
Solute carrier family 22 member 2 (Homo sapiens (Human))	BDBM50008935 ((20S)-10-Dimethylaminomethyl-4-ethyl-4,9-dihydroxy...) Show SMILES Show InChI	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	6.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of human OCT2-mediated ASP+ uptake expressed in HEK293 cells after 3 mins by fluorescence assay				J Med Chem 56: 781-95 (2013) Article DOI: 10.1021/jm301302s BindingDB Entry DOI: 10.7270/Q2F76DWZ
University of California Curated by ChEMBL					More data for this Ligand-Target Pair
DNA topoisomerase I (Topo I) (Homo sapiens (Human))	BDBM50008935 ((20S)-10-Dimethylaminomethyl-4-ethyl-4,9-dihydroxy...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	54	n/a	n/a	n/a	n/a
Dongguk University-Seoul Curated by ChEMBL					Assay Description Inhibition of topoisomerase-1 in human U251 cells assessed as inhibition of hypoxia-induced HIF-1alpha accumulation in nuclear extract after 6 to 24 ...				Eur J Med Chem 49: 24-40 (2012) Article DOI: 10.1016/j.ejmech.2012.01.033 BindingDB Entry DOI: 10.7270/Q26D5V4N
Dongguk University-Seoul Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
DNA topoisomerase I (Topo I) (Homo sapiens (Human))	BDBM50008935 ((20S)-10-Dimethylaminomethyl-4-ethyl-4,9-dihydroxy...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	71.3	n/a	n/a	n/a	n/a
Dongguk University-Seoul Curated by ChEMBL					Assay Description Inhibition of topoisomerase-1 in human U251 cells assessed as inhibition of HIF-1-mediated hypoxia-induced VEGF expression after 24 hrs by luciferase...				Eur J Med Chem 49: 24-40 (2012) Article DOI: 10.1016/j.ejmech.2012.01.033 BindingDB Entry DOI: 10.7270/Q26D5V4N
Dongguk University-Seoul Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
DNA topoisomerase I (Topo I) (Homo sapiens (Human))	BDBM50008935 ((20S)-10-Dimethylaminomethyl-4-ethyl-4,9-dihydroxy...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	n/a	26.5	n/a	n/a	n/a	n/a	n/a
Universita di Salerno Curated by ChEMBL					Assay Description Binding affinity to topoisomerase 1				J Nat Prod 74: 1401-7 (2011) Article DOI: 10.1021/np100935s BindingDB Entry DOI: 10.7270/Q20V8DSJ
Universita di Salerno Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Hypoxia inducible factors; HIF-1-alpha, HIF-2-alpha (Homo sapiens (Human))	BDBM50008935 ((20S)-10-Dimethylaminomethyl-4-ethyl-4,9-dihydroxy...) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	71	n/a	n/a	n/a	n/a
University of Mississippi Curated by ChEMBL					Assay Description Inhibition of hypoxia-induced HIF1 activation in human U251 cells				J Nat Prod 67: 2002-7 (2004) Article DOI: 10.1021/np049753f BindingDB Entry DOI: 10.7270/Q2W66PH1
University of Mississippi Curated by ChEMBL					More data for this Ligand-Target Pair
DNA topoisomerase I (Homo sapiens (Human))	BDBM50008935 ((20S)-10-Dimethylaminomethyl-4-ethyl-4,9-dihydroxy...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article	n/a	n/a	5.55E+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
TBA					More data for this Ligand-Target Pair				3D Structure (crystal)
DNA topoisomerase I (Homo sapiens (Human))	BDBM50008935 ((20S)-10-Dimethylaminomethyl-4-ethyl-4,9-dihydroxy...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article	n/a	n/a	5.25E+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
TBA					More data for this Ligand-Target Pair				3D Structure (crystal)
DNA topoisomerase I (Homo sapiens (Human))	BDBM50008935 ((20S)-10-Dimethylaminomethyl-4-ethyl-4,9-dihydroxy...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article	n/a	n/a	9.65E+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
TBA					More data for this Ligand-Target Pair				3D Structure (crystal)
DNA topoisomerase I (Homo sapiens (Human))	BDBM50008935 ((20S)-10-Dimethylaminomethyl-4-ethyl-4,9-dihydroxy...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	21	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
					More data for this Ligand-Target Pair				3D Structure (crystal)
DNA topoisomerase I (Homo sapiens (Human))	BDBM50008935 ((20S)-10-Dimethylaminomethyl-4-ethyl-4,9-dihydroxy...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	1.80E+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
					More data for this Ligand-Target Pair				3D Structure (crystal)
DNA topoisomerase II (Homo sapiens (Human))	BDBM50008935 ((20S)-10-Dimethylaminomethyl-4-ethyl-4,9-dihydroxy...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	730	n/a	n/a	n/a	n/a	n/a	n/a
Kyushu Institute of Technology1-1 Sensuicho Curated by ChEMBL					Assay Description Inhibition of DNA topoisomerase 2 in human HeLa cells incubated for 18 to 24 hrs by kinase assay				Bioorg Med Chem 27: (2019) Article DOI: 10.1016/j.bmc.2019.07.042
					More data for this Ligand-Target Pair
DNA topoisomerase I (Topo I) (Homo sapiens (Human))	BDBM50008935 ((20S)-10-Dimethylaminomethyl-4-ethyl-4,9-dihydroxy...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	n/a	n/a	1.03E+3	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
Glaxo Research Institute Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)