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  22 IC50  1 Kd  4 EC50

PDB links: 7 PDB IDs match this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 27 hits for monomerid = 50008935   

TargetCystic fibrosis transmembrane conductance regulator(Human)
Southern Research Institute

Curated by PubChem BioAssay
LigandPNGBDBM50008935((20S)-10-Dimethylaminomethyl-4-ethyl-4,9-dihydroxy...)
Affinity DataEC50: >5.00E+4nMMore data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetDNA topoisomerase 1(Human)
University of Palermo

Curated by ChEMBL
LigandPNGBDBM50008935((20S)-10-Dimethylaminomethyl-4-ethyl-4,9-dihydroxy...)
Affinity DataIC50:  3.20E+3nMAssay Description:Inhibition of human topoisomerase 1More data for this Ligand-Target Pair
TargetDNA topoisomerase 1(Human)
University of Palermo

Curated by ChEMBL
LigandPNGBDBM50008935((20S)-10-Dimethylaminomethyl-4-ethyl-4,9-dihydroxy...)
Affinity DataIC50:  1.10E+3nMAssay Description:Average concentration of compound to cause 50% inhibition of topoisomerase-I isolated from calf thymusMore data for this Ligand-Target Pair
TargetDNA topoisomerase 1(Mouse)
Life Science Research Center

Curated by ChEMBL
LigandPNGBDBM50008935((20S)-10-Dimethylaminomethyl-4-ethyl-4,9-dihydroxy...)
Affinity DataIC50:  2.00E+4nMAssay Description:Average concentration to cause 50% inhibition of topo 1 using the cleavable complex assayMore data for this Ligand-Target Pair
TargetHypoxia-inducible factor 1-alpha(Human)
Piramal Life Sciences

Curated by ChEMBL
LigandPNGBDBM50008935((20S)-10-Dimethylaminomethyl-4-ethyl-4,9-dihydroxy...)
Affinity DataIC50: >3.00E+3nMAssay Description:Inhibition of HIF1alpha in human U251 cells under normoxic condition by luciferase reporter gene assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetHypoxia-inducible factor 1-alpha(Human)
Piramal Life Sciences

Curated by ChEMBL
LigandPNGBDBM50008935((20S)-10-Dimethylaminomethyl-4-ethyl-4,9-dihydroxy...)
Affinity DataIC50:  60nMAssay Description:Inhibition of HIF1alpha in human U251 cells under hypoxic condition by luciferase reporter gene assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDNA topoisomerase 1(Human)
University of Palermo

Curated by ChEMBL
LigandPNGBDBM50008935((20S)-10-Dimethylaminomethyl-4-ethyl-4,9-dihydroxy...)
Affinity DataIC50:  1.00E+3nMAssay Description:Inhibition of Topoisomerase I by cleavage complex formation in human HL-60 cellsMore data for this Ligand-Target Pair
TargetDNA topoisomerase 1(Human)
University of Palermo

Curated by ChEMBL
LigandPNGBDBM50008935((20S)-10-Dimethylaminomethyl-4-ethyl-4,9-dihydroxy...)
Affinity DataIC50:  1.08E+3nMAssay Description:In vitro fragmentation of DNA in the presence of excess calf thymus topoisomerase.More data for this Ligand-Target Pair
TargetDNA topoisomerase 1(Human)
University of Palermo

Curated by ChEMBL
LigandPNGBDBM50008935((20S)-10-Dimethylaminomethyl-4-ethyl-4,9-dihydroxy...)
Affinity DataIC50:  50nMAssay Description:Inhibition of topoisomerase I-DNA complex in trapping assayMore data for this Ligand-Target Pair
TargetMultidrug and toxin extrusion protein 2(Human)
University of California

Curated by ChEMBL
LigandPNGBDBM50008935((20S)-10-Dimethylaminomethyl-4-ethyl-4,9-dihydroxy...)
Affinity DataIC50:  8.60E+3nMAssay Description:Inhibition of human MATE2K-mediated ASP+ uptake expressed in HEK293 cells after 1.5 mins by fluorescence assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetMultidrug and toxin extrusion protein 1(Human)
University of California

Curated by ChEMBL
LigandPNGBDBM50008935((20S)-10-Dimethylaminomethyl-4-ethyl-4,9-dihydroxy...)
Affinity DataIC50:  1.30E+3nMAssay Description:Inhibition of human MATE1-mediated ASP+ uptake expressed in HEK293 cells after 1.5 mins by fluorescence assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSolute carrier family 22 member 2(Human)
University of California

Curated by ChEMBL
LigandPNGBDBM50008935((20S)-10-Dimethylaminomethyl-4-ethyl-4,9-dihydroxy...)
Affinity DataIC50:  6.10E+4nMAssay Description:Inhibition of human OCT2-mediated ASP+ uptake expressed in HEK293 cells after 3 mins by fluorescence assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDNA topoisomerase 1(Human)
University of Palermo

Curated by ChEMBL
LigandPNGBDBM50008935((20S)-10-Dimethylaminomethyl-4-ethyl-4,9-dihydroxy...)
Affinity DataEC50:  54nMAssay 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 ...More data for this Ligand-Target Pair
TargetDNA topoisomerase 1(Human)
University of Palermo

Curated by ChEMBL
LigandPNGBDBM50008935((20S)-10-Dimethylaminomethyl-4-ethyl-4,9-dihydroxy...)
Affinity DataEC50:  71.3nMAssay 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...More data for this Ligand-Target Pair
TargetDNA topoisomerase 1(Human)
University of Palermo

Curated by ChEMBL
LigandPNGBDBM50008935((20S)-10-Dimethylaminomethyl-4-ethyl-4,9-dihydroxy...)
Affinity DataKd:  26.5nMAssay Description:Binding affinity to topoisomerase 1More data for this Ligand-Target Pair
LigandPNGBDBM50008935((20S)-10-Dimethylaminomethyl-4-ethyl-4,9-dihydroxy...)
Affinity DataEC50:  71nMAssay Description:Inhibition of hypoxia-induced HIF1 activation in human U251 cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDNA topoisomerase 1(Human)
University of Palermo

Curated by ChEMBL
LigandPNGBDBM50008935((20S)-10-Dimethylaminomethyl-4-ethyl-4,9-dihydroxy...)
Affinity DataIC50:  5.55E+3nMAssay Description:Inhibition of DNA topoisomerase 1 in Homo sapiens (human) HCT116 cellsMore data for this Ligand-Target Pair
TargetDNA topoisomerase 1(Human)
University of Palermo

Curated by ChEMBL
LigandPNGBDBM50008935((20S)-10-Dimethylaminomethyl-4-ethyl-4,9-dihydroxy...)
Affinity DataIC50:  5.25E+3nMAssay Description:Inhibition of DNA topoisomerase 1 in Homo sapiens (human) VACO 241 cellsMore data for this Ligand-Target Pair
TargetDNA topoisomerase 1(Human)
University of Palermo

Curated by ChEMBL
LigandPNGBDBM50008935((20S)-10-Dimethylaminomethyl-4-ethyl-4,9-dihydroxy...)
Affinity DataIC50:  9.65E+3nMAssay Description:Inhibition of DNA topoisomerase 1 in Homo sapiens (human) SW480 cellsMore data for this Ligand-Target Pair
TargetDNA topoisomerase 1(Human)
University of Palermo

Curated by ChEMBL
LigandPNGBDBM50008935((20S)-10-Dimethylaminomethyl-4-ethyl-4,9-dihydroxy...)
Affinity DataIC50:  21nMAssay Description:Poison activity at recombinant human TOP1 expressed in baculovirus infected Sf9 insect cells assessed as decrease in relaxed supercoiled pBS(SK+) DNA...More data for this Ligand-Target Pair
TargetDNA topoisomerase 1(Human)
University of Palermo

Curated by ChEMBL
LigandPNGBDBM50008935((20S)-10-Dimethylaminomethyl-4-ethyl-4,9-dihydroxy...)
Affinity DataIC50:  1.80E+3nMAssay 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...More data for this Ligand-Target Pair
TargetDNA topoisomerase 2-alpha/2-beta(Human)
Kyushu Institute of Technology1-1 Sensuicho

Curated by ChEMBL
LigandPNGBDBM50008935((20S)-10-Dimethylaminomethyl-4-ethyl-4,9-dihydroxy...)
Affinity DataIC50:  730nMAssay Description:Inhibition of DNA topoisomerase 2 in human HeLa cells incubated for 18 to 24 hrs by kinase assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDNA topoisomerase 2-alpha/2-beta(Human)
Kyushu Institute of Technology1-1 Sensuicho

Curated by ChEMBL
LigandPNGBDBM50008935((20S)-10-Dimethylaminomethyl-4-ethyl-4,9-dihydroxy...)
Affinity DataIC50:  480nMAssay Description:Inhibition of DNA topoisomerase 2 in human MCF7 cells incubated for 18 to 24 hrs by kinase assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDNA topoisomerase 1(Human)
University of Palermo

Curated by ChEMBL
LigandPNGBDBM50008935((20S)-10-Dimethylaminomethyl-4-ethyl-4,9-dihydroxy...)
Affinity DataIC50:  21nMAssay Description:Inhibition of recombinant human Top1 expressed in baculovirus infected sf9 insect cells using supercoiled pBS (SK+) DNA as substrate incubated for 30...More data for this Ligand-Target Pair
TargetDNA topoisomerase 1(Human)
University of Palermo

Curated by ChEMBL
LigandPNGBDBM50008935((20S)-10-Dimethylaminomethyl-4-ethyl-4,9-dihydroxy...)
Affinity DataIC50:  1.80E+3nMAssay 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 ...More data for this Ligand-Target Pair
TargetDNA topoisomerase 1(Human)
University of Palermo

Curated by ChEMBL
LigandPNGBDBM50008935((20S)-10-Dimethylaminomethyl-4-ethyl-4,9-dihydroxy...)
Affinity DataIC50:  2.29E+4nMAssay Description:Inhibition of human topoisomerase I using DNA pBR322 as substrate assessed as DNA relaxation incubated for 45 mins by ethidium bromide staining based...More data for this Ligand-Target Pair
TargetDNA topoisomerase 1(Human)
University of Palermo

Curated by ChEMBL
LigandPNGBDBM50008935((20S)-10-Dimethylaminomethyl-4-ethyl-4,9-dihydroxy...)
Affinity DataIC50:  1.03E+3nMAssay Description:Inhibition of topoisomerase I activity was determined in vitro by using the cleavable complex assay(calf thymus)More data for this Ligand-Target Pair