BDBM50035218 CHEMBL61::PODOFILOX::Podophyllinic acid lactone::Podophyllotoxin (PTOX)::podophyllotoxin

SMILES COc1cc(cc(OC)c1OC)[C@H]1[C@@H]2[C@H](COC2=O)[C@@H](O)c2cc3OCOc3cc12

InChI Key InChIKey=YJGVMLPVUAXIQN-UHFFFAOYSA-N

Data  1 KI  38 IC50  6 Kd  1 ITC

  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 45 hits for monomerid = 50035218   

TargetSimilar to alpha-tubulin isoform 1(Bovine)
University of Ferrara

Curated by ChEMBL
LigandPNGBDBM50035218(podophyllotoxin | CHEMBL61 | Podophyllinic acid la...)
Affinity DataIC50: 1.70E+3nMAssay Description:Inhibition of tubulin polymerization in bovine brain by tubulin assembly assayMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetGlucocorticoid receptor(Human)
Monash University (Parkville Campus)

Curated by ChEMBL
LigandPNGBDBM50035218(podophyllotoxin | CHEMBL61 | Podophyllinic acid la...)
Affinity DataIC50: 14nMAssay Description:Inhibition of human glucocorticoid receptorMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetTubulin beta-2B chain(Bovine)
Institute of Pharmaceutical Chemistry

Curated by ChEMBL
LigandPNGBDBM50035218(podophyllotoxin | CHEMBL61 | Podophyllinic acid la...)
Affinity DataIC50: 1.30E+3nMAssay Description:Inhibition of tubulin polymerizationMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetSimilar to alpha-tubulin isoform 1(Bovine)
University of Ferrara

Curated by ChEMBL
LigandPNGBDBM50035218(podophyllotoxin | CHEMBL61 | Podophyllinic acid la...)
Affinity DataIC50: 2.50E+3nMAssay Description:In vitro inhibition of purified bovine brain tubulin polymerisation in the absence of microtubule-associated proteins.More data for this Ligand-Target Pair
In DepthDetails

TargetSimilar to alpha-tubulin isoform 1(Bovine)
University of Ferrara

Curated by ChEMBL
LigandPNGBDBM50035218(podophyllotoxin | CHEMBL61 | Podophyllinic acid la...)
Affinity DataIC50: 2.10E+3nMAssay Description:Ability to inhibit Tubulin polymerization in Bovine brainMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetTubulin beta chain(Pig)
Westphalian Wilhelms-University

Curated by ChEMBL
LigandPNGBDBM50035218(podophyllotoxin | CHEMBL61 | Podophyllinic acid la...)
Affinity DataIC50: 350nMAssay Description:In vitro inhibition of maximum porcine tubulin assembly rate after 20 min at 37 degrees CMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetSimilar to alpha-tubulin isoform 1(Bovine)
University of Ferrara

Curated by ChEMBL
LigandPNGBDBM50035218(podophyllotoxin | CHEMBL61 | Podophyllinic acid la...)
Affinity DataIC50: 460nMAssay Description:Inhibition of tubulin polymerizationMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetSimilar to alpha-tubulin isoform 1(Bovine)
University of Ferrara

Curated by ChEMBL
LigandPNGBDBM50035218(podophyllotoxin | CHEMBL61 | Podophyllinic acid la...)
Affinity DataIC50: 1.20E+3nMAssay Description:Inhibition of tubulin polymerization using isolated calf brainMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetSimilar to alpha-tubulin isoform 1(Bovine)
University of Ferrara

Curated by ChEMBL
LigandPNGBDBM50035218(podophyllotoxin | CHEMBL61 | Podophyllinic acid la...)
Affinity DataIC50: 590nMAssay Description:Concentration inhibiting tubulin polymerization (ITP)More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetTubulin beta chain(Pig)
Westphalian Wilhelms-University

Curated by ChEMBL
LigandPNGBDBM50035218(podophyllotoxin | CHEMBL61 | Podophyllinic acid la...)
Affinity DataIC50: 1.56E+3nMAssay Description:Inhibition of porcine brain tubulin polymerization by GTP-induced assemblyMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetSimilar to alpha-tubulin isoform 1(Bovine)
University of Ferrara

Curated by ChEMBL
LigandPNGBDBM50035218(podophyllotoxin | CHEMBL61 | Podophyllinic acid la...)
Affinity DataIC50: 460nMAssay Description:Inhibition of bovine tubulin polymerizationMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetProstaglandin G/H synthase 2(Mouse)
Vanderbilt University School of Medicine

Curated by ChEMBL
LigandPNGBDBM50035218(podophyllotoxin | CHEMBL61 | Podophyllinic acid la...)
Affinity DataIC50: 4.00E+3nMAssay Description:Inhibition of mouse COX2More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetTubulin beta chain(Pig)
Westphalian Wilhelms-University

Curated by ChEMBL
LigandPNGBDBM50035218(podophyllotoxin | CHEMBL61 | Podophyllinic acid la...)
Affinity DataIC50: 350nMAssay Description:Inhibition of tubulin polymerization in porcine brainMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetSimilar to alpha-tubulin isoform 1(Bovine)
University of Ferrara

Curated by ChEMBL
LigandPNGBDBM50035218(podophyllotoxin | CHEMBL61 | Podophyllinic acid la...)
Affinity DataIC50: 460nMAssay Description:Inhibition of bovine tubulin polymerizationMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetSimilar to alpha-tubulin isoform 1(Bovine)
University of Ferrara

Curated by ChEMBL
LigandPNGBDBM50035218(podophyllotoxin | CHEMBL61 | Podophyllinic acid la...)
Affinity DataIC50: 460nMAssay Description:Inhibition of bovine brain tubulin polymerization (ITP).More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetTubulin beta chain(Pig)
Westphalian Wilhelms-University

Curated by ChEMBL
LigandPNGBDBM50035218(podophyllotoxin | CHEMBL61 | Podophyllinic acid la...)
Affinity DataIC50: 560nMAssay Description:Binding affinity to pig brain tubulin at 10 uM after 15 mins relative to controlMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetTubulin beta chain(Pig)
Westphalian Wilhelms-University

Curated by ChEMBL
LigandPNGBDBM50035218(podophyllotoxin | CHEMBL61 | Podophyllinic acid la...)
Affinity DataIC50: 350nMAssay Description:Inhibition of pig brain tubulin polymerization after 30 mins by turbidimetryMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetTubulin beta chain(Pig)
Westphalian Wilhelms-University

Curated by ChEMBL
LigandPNGBDBM50035218(podophyllotoxin | CHEMBL61 | Podophyllinic acid la...)
Affinity DataIC50: 3.71E+3nMAssay Description:Competitive binding affinity to pig brain tubulin colchicine binding site after 1 hr by mass spectrophotometric analysis in presence of colchicineMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetTubulin beta chain(Pig)
Westphalian Wilhelms-University

Curated by ChEMBL
LigandPNGBDBM50035218(podophyllotoxin | CHEMBL61 | Podophyllinic acid la...)
Affinity DataIC50: 350nMAssay Description:Inhibition of pig brain tubulin polymerization after 30 mins by turbidimetric assayMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetTubulin beta chain(Pig)
Westphalian Wilhelms-University

Curated by ChEMBL
LigandPNGBDBM50035218(podophyllotoxin | CHEMBL61 | Podophyllinic acid la...)
Affinity DataIC50: 350nMAssay Description:Inhibition of pig tubulin polymerization determined after 45 mins at 37 degC by turbidimetric analysisMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetTubulin beta chain(Pig)
Westphalian Wilhelms-University

Curated by ChEMBL
LigandPNGBDBM50035218(podophyllotoxin | CHEMBL61 | Podophyllinic acid la...)
Affinity DataIC50: 350nMAssay Description:Inhibition of porcine brain tubulin polymerizationMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetTubulin beta chain(Pig)
Westphalian Wilhelms-University

Curated by ChEMBL
LigandPNGBDBM50035218(podophyllotoxin | CHEMBL61 | Podophyllinic acid la...)
Affinity DataIC50: 350nMAssay Description:Inhibition of pig brain tubulin polymerization after 30 mins by turbidimetry analysisMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetSimilar to alpha-tubulin isoform 1/Tubulin beta-2B chain(Bovine)
Purdue University

Curated by ChEMBL
LigandPNGBDBM50035218(podophyllotoxin | CHEMBL61 | Podophyllinic acid la...)
Affinity DataIC50: 2.10E+3nMAssay Description:Inhibition of tubulin polymerization was determined at 1.2 mg/mL concentrationMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetSteroidogenic factor 1(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM50035218(podophyllotoxin | CHEMBL61 | Podophyllinic acid la...)
Affinity DataIC50: 45.4nMAssay Description:Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...More data for this Ligand-Target Pair
In DepthDetails
PCBioAssay
TargetTubulin alpha-1A chain(Pig)
The Ohio State University

LigandPNGBDBM50035218(podophyllotoxin | CHEMBL61 | Podophyllinic acid la...)
Affinity DataIC50: 1.40E+3nMAssay Description:In vitro activity assay using leishmania tarentolae and porcine brain tubulin.More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetNuclear receptor subfamily 0 group B member 1(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM50035218(podophyllotoxin | CHEMBL61 | Podophyllinic acid la...)
Affinity DataIC50: 2.15E+3nMMore data for this Ligand-Target Pair
In DepthDetails
PCBioAssay
TargetNuclear receptor subfamily 0 group B member 1(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM50035218(podophyllotoxin | CHEMBL61 | Podophyllinic acid la...)
Affinity DataIC50: 6.75E+4nMMore data for this Ligand-Target Pair
In DepthDetails
PCBioAssay
TargetSteroidogenic factor 1(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM50035218(podophyllotoxin | CHEMBL61 | Podophyllinic acid la...)
Affinity DataIC50: 6.75E+4nMMore data for this Ligand-Target Pair
In DepthDetails
PCBioAssay
TargetSteroidogenic factor 1(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM50035218(podophyllotoxin | CHEMBL61 | Podophyllinic acid la...)
Affinity DataIC50: 6.75E+4nMMore data for this Ligand-Target Pair
In DepthDetails
PCBioAssay
TargetProstaglandin G/H synthase 1(Sheep)
Vanderbilt Institute of Chemical Biology, Vanderbilt University School of Medicine

LigandPNGBDBM50035218(podophyllotoxin | CHEMBL61 | Podophyllinic acid la...)
Affinity DataIC50: 2.50E+4nMAssay Description:Each molecule was evaluated for its ability to inhibit purified mouse COX-2 or ovine COX-1 using a previously described assay. [Kalgutkar et al, J. M...More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetProstaglandin G/H synthase 2(Mouse)
Vanderbilt University School of Medicine

Curated by ChEMBL
LigandPNGBDBM50035218(podophyllotoxin | CHEMBL61 | Podophyllinic acid la...)
Affinity DataIC50: 2.50E+4nMAssay Description:Each molecule was evaluated for its ability to inhibit purified mouse COX-2 or ovine COX-1 using a previously described assay. [Kalgutkar et al, J. M...More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetTubulin beta-2B chain(Bovine)
Institute of Pharmaceutical Chemistry

Curated by ChEMBL
LigandPNGBDBM50035218(podophyllotoxin | CHEMBL61 | Podophyllinic acid la...)
Affinity DataIC50: 460nMAssay Description:Inhibition of tubulin polymerizationMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetTubulin beta-2B chain(Bovine)
Institute of Pharmaceutical Chemistry

Curated by ChEMBL
LigandPNGBDBM50035218(podophyllotoxin | CHEMBL61 | Podophyllinic acid la...)
Affinity DataIC50: 460nMAssay Description:Inhibition of bovine tubulin polymerizationMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetTubulin alpha-1A chain(Pig)
The Ohio State University

LigandPNGBDBM50035218(podophyllotoxin | CHEMBL61 | Podophyllinic acid la...)
Affinity DataIC50: 460nMAssay Description:Inhibition of tubulin polymerization. (ITP)More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetIsoform 2 of Nuclear receptor ROR-alpha (Alpha-2)(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM50035218(podophyllotoxin | CHEMBL61 | Podophyllinic acid la...)
Affinity DataIC50: 81nMAssay Description:Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...More data for this Ligand-Target Pair
In DepthDetails
PCBioAssay
TargetSimilar to alpha-tubulin isoform 1(Bovine)
University of Ferrara

Curated by ChEMBL
LigandPNGBDBM50035218(podophyllotoxin | CHEMBL61 | Podophyllinic acid la...)
Affinity DataIC50: 810nMAssay Description:Inhibition of bovine brain tubulin polymerization measured for 1 hr at 1 min intervals by fluorescence assayMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetSimilar to alpha-tubulin isoform 1(Bovine)
University of Ferrara

Curated by ChEMBL
LigandPNGBDBM50035218(podophyllotoxin | CHEMBL61 | Podophyllinic acid la...)
Affinity DataIC50: 830nMAssay Description:Inhibition of bovine brain tubulin polymerization by fluorescence analysisMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetRegulatory protein E2(Human papillomavirus type 1a)
Tokyo University of Science

Curated by ChEMBL
LigandPNGBDBM50035218(podophyllotoxin | CHEMBL61 | Podophyllinic acid la...)
Affinity DataKd:  2.41E+4nMAssay Description:Binding affinity to HPV1a recombinant E2 protein by surface plasmon resonance methodMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetRegulatory protein E2(Human papillomavirus type 1a)
Tokyo University of Science

Curated by ChEMBL
LigandPNGBDBM50035218(podophyllotoxin | CHEMBL61 | Podophyllinic acid la...)
Affinity DataKd: >4.00E+5nMAssay Description:Binding affinity to HPV1a recombinant E2 protein activator domain by surface plasmon resonance assayMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetRegulatory protein E2(Human papillomavirus type 1a)
Tokyo University of Science

Curated by ChEMBL
LigandPNGBDBM50035218(podophyllotoxin | CHEMBL61 | Podophyllinic acid la...)
Affinity DataKd:  1.05E+3nMAssay Description:Binding affinity to HPV1a recombinant E2 protein hinge domain by surface plasmon resonance assayMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetRegulatory protein E2(Human papillomavirus type 1a)
Tokyo University of Science

Curated by ChEMBL
LigandPNGBDBM50035218(podophyllotoxin | CHEMBL61 | Podophyllinic acid la...)
Affinity DataKd: >4.00E+5nMAssay Description:Binding affinity to HPV1a recombinant E2 protein DNA binding domain by surface plasmon resonance assayMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetRegulatory protein E2(Human papillomavirus type 11)
Tokyo University of Science

Curated by ChEMBL
LigandPNGBDBM50035218(podophyllotoxin | CHEMBL61 | Podophyllinic acid la...)
Affinity DataKd:  2.01E+4nMAssay Description:Binding affinity to HPV11 recombinant E2 protein by surface plasmon resonance methodMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetRegulatory protein E2(Human papillomavirus type 16)
Tokyo University of Science

Curated by ChEMBL
LigandPNGBDBM50035218(podophyllotoxin | CHEMBL61 | Podophyllinic acid la...)
Affinity DataKd:  7.05E+4nMAssay Description:Binding affinity to HPV16 recombinant E2 protein by surface plasmon resonance methodMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetProstaglandin G/H synthase 1(Sheep)
Vanderbilt Institute of Chemical Biology, Vanderbilt University School of Medicine

LigandPNGBDBM50035218(podophyllotoxin | CHEMBL61 | Podophyllinic acid la...)
Affinity DataIC50: 4.00E+3nMAssay Description:Inhibition of ovine COX1More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetTubulin beta chain(Pig)
Westphalian Wilhelms-University

Curated by ChEMBL
LigandPNGBDBM50035218(podophyllotoxin | CHEMBL61 | Podophyllinic acid la...)
Affinity DataKi:  2.18E+3nMAssay Description:Binding affinity against tubulin using [3H]colchicine as radioligandMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed

Activity Spreadsheet -- ITC Data from BindingDB

Found 1 hit for monomerid = 50035218   

CellTubulin(Bovine)
Huazhong Agricultural University

SyringePNGBDBM50035218(podophyllotoxin | CHEMBL61 | Podophyllinic acid la...)
ITC DataΔG°: -260kcal/mole −TΔS°: -74.6kcal/mole ΔH°: -185kcal/mole logk: 8.82E+3
T: 30.00°C