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BDBM50164888 6-Hydroxy-3-[1-(4-hydroxy-phenyl)-meth-(E)-ylidene]-3H-benzofuran-2-one::CHEMBL195416::isoaurostatin
SMILES: Oc1ccc(\C=C2\C(=O)Oc3cc(O)ccc23)cc1
InChI Key: InChIKey=DJGNNZVFOBIPMK-NTUHNPAUSA-N
Data: 21 IC50
| Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| DNA topoisomerase (Bos taurus) | BDBM50164888 (6-Hydroxy-3-[1-(4-hydroxy-phenyl)-meth-(E)-ylidene...) | PDB KEGG UniProtKB/TrEMBL GoogleScholar AffyNet  | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 3.07E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Kumamoto University Curated by ChEMBL | Assay Description Inhibition calf thymus gland topoisomerase 1 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 | |||||||||||||
| DNA topoisomerase I (Bos taurus) | BDBM50164888 (6-Hydroxy-3-[1-(4-hydroxy-phenyl)-meth-(E)-ylidene...) | Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 3.07E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
King Khalid University Curated by ChEMBL | Assay Description Inhibition of calf thymus gland topoisomerase 1 mediated DNA relaxation | Eur J Med Chem 166: 417-431 (2019) | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| DNA topoisomerase 1 (Cercopithecus aethiops) | BDBM50164888 (6-Hydroxy-3-[1-(4-hydroxy-phenyl)-meth-(E)-ylidene...) | PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | >4.00E+5 | 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 | |||||||||||||
| DNA topoisomerase I (Topo I) (Homo sapiens (Human)) | BDBM50164888 (6-Hydroxy-3-[1-(4-hydroxy-phenyl)-meth-(E)-ylidene...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | >4.00E+5 | 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 | |||||||||||||
| DNA topoisomerase I (Topo I) (Homo sapiens (Human)) | BDBM50164888 (6-Hydroxy-3-[1-(4-hydroxy-phenyl)-meth-(E)-ylidene...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | >4.00E+5 | 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 | |||||||||||||
| DNA topoisomerase I (Topo I) (Homo sapiens (Human)) | BDBM50164888 (6-Hydroxy-3-[1-(4-hydroxy-phenyl)-meth-(E)-ylidene...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | >4.00E+5 | 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 | |||||||||||||
| Topoisomerase II alpha (HuTopoIIα) (Homo sapiens (Human)) | BDBM50164888 (6-Hydroxy-3-[1-(4-hydroxy-phenyl)-meth-(E)-ylidene...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | >4.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Kumamoto University Curated by ChEMBL | Assay Description Inhibition human placenta topoisomerase 2 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 | |||||||||||||
| Topoisomerase II alpha (HuTopoIIα) (Homo sapiens (Human)) | BDBM50164888 (6-Hydroxy-3-[1-(4-hydroxy-phenyl)-meth-(E)-ylidene...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | >4.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Kumamoto University Curated by ChEMBL | Assay Description Inhibition human placenta topoisomerase 2 assessed as conversion of catenated kinetoplast DNA to minicircle monomer | J Nat Prod 64: 204-7 (2001) BindingDB Entry DOI: 10.7270/Q2W37W21 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| CAM-RNase A (Bison bison (American bison)) | BDBM50164888 (6-Hydroxy-3-[1-(4-hydroxy-phenyl)-meth-(E)-ylidene...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | >4.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Kumamoto University Curated by ChEMBL | Assay Description Inhibition of bovine pancreas RNase A assessed as undigested supercoiled pBR322 DNA concentration | J Nat Prod 64: 204-7 (2001) BindingDB Entry DOI: 10.7270/Q2W37W21 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Deoxyribonuclease-1 (Bos taurus) | BDBM50164888 (6-Hydroxy-3-[1-(4-hydroxy-phenyl)-meth-(E)-ylidene...) | PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | >4.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Kumamoto University Curated by ChEMBL | Assay Description Inhibition of bovine pancreas DNase 1 assessed as undigested supercoiled pBR322 DNA concentration | J Nat Prod 64: 204-7 (2001) BindingDB Entry DOI: 10.7270/Q2W37W21 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Deoxyribonuclease-2-alpha (Sus scrofa) | BDBM50164888 (6-Hydroxy-3-[1-(4-hydroxy-phenyl)-meth-(E)-ylidene...) | KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | >4.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Kumamoto University Curated by ChEMBL | Assay Description Inhibition of porcine spleen DNase 2 assessed as undigested supercoiled pBR322 DNA concentration | J Nat Prod 64: 204-7 (2001) BindingDB Entry DOI: 10.7270/Q2W37W21 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Bacteriophage T4 DNA Ligase (Bacteriophage T4) | BDBM50164888 (6-Hydroxy-3-[1-(4-hydroxy-phenyl)-meth-(E)-ylidene...) | PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | >4.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Kumamoto University Curated by ChEMBL | Assay Description Inhibition of T4 ligase from bacteriophage infected Escherichia coli assessed as ligation of supercoiled pBR322 DNA | J Nat Prod 64: 204-7 (2001) BindingDB Entry DOI: 10.7270/Q2W37W21 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Type-2 restriction enzyme BamHI (Bacillus amyloliquefaciens) | BDBM50164888 (6-Hydroxy-3-[1-(4-hydroxy-phenyl)-meth-(E)-ylidene...) | PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | >4.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Kumamoto University Curated by ChEMBL | Assay Description Inhibition of Bacillus amyloliquifaction Bam H1 assessed as undigested supercoiled pBR322 DNA concentration | J Nat Prod 64: 204-7 (2001) BindingDB Entry DOI: 10.7270/Q2W37W21 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Type-2 restriction enzyme EcoRI (Escherichia coli) | BDBM50164888 (6-Hydroxy-3-[1-(4-hydroxy-phenyl)-meth-(E)-ylidene...) | PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | >4.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Kumamoto University Curated by ChEMBL | Assay Description Inhibition of Escherichia coli Eco R1 assessed as undigested supercoiled pBR322 DNA concentration | J Nat Prod 64: 204-7 (2001) BindingDB Entry DOI: 10.7270/Q2W37W21 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Type-2 restriction enzyme HindIII (Haemophilus influenzae) | BDBM50164888 (6-Hydroxy-3-[1-(4-hydroxy-phenyl)-meth-(E)-ylidene...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | >4.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Kumamoto University Curated by ChEMBL | Assay Description Inhibition of Haemophilus influenzae Hind 3 assessed as undigested supercoiled pBR322 DNA concentration | J Nat Prod 64: 204-7 (2001) BindingDB Entry DOI: 10.7270/Q2W37W21 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Type-2 restriction enzyme PstI (Providencia stuartii) | BDBM50164888 (6-Hydroxy-3-[1-(4-hydroxy-phenyl)-meth-(E)-ylidene...) | UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | >4.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Kumamoto University Curated by ChEMBL | Assay Description Inhibition of Providencia stuartii Pst 1 assessed as undigested supercoiled pBR322 DNA concentration | J Nat Prod 64: 204-7 (2001) BindingDB Entry DOI: 10.7270/Q2W37W21 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Type-2 restriction enzyme ScaI (Streptomyces caespitosus) | BDBM50164888 (6-Hydroxy-3-[1-(4-hydroxy-phenyl)-meth-(E)-ylidene...) | UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | >4.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Kumamoto University Curated by ChEMBL | Assay Description Inhibition of Streptomyces caespitosus Sca 1 assessed as undigested supercoiled pBR322 DNA concentration | J Nat Prod 64: 204-7 (2001) BindingDB Entry DOI: 10.7270/Q2W37W21 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Telomerase reverse transcriptase (Homo sapiens (Human)) | BDBM50164888 (6-Hydroxy-3-[1-(4-hydroxy-phenyl)-meth-(E)-ylidene...) | PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | >4.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Kumamoto University Curated by ChEMBL | Assay Description Inhibition of telomerase from human COLO201 cell | J Nat Prod 64: 204-7 (2001) BindingDB Entry DOI: 10.7270/Q2W37W21 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| DNA topoisomerase I (Topo I) (Homo sapiens (Human)) | BDBM50164888 (6-Hydroxy-3-[1-(4-hydroxy-phenyl)-meth-(E)-ylidene...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 3.07E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Kumamoto University Curated by ChEMBL | Assay Description Inhibitory concentration against DNA topoisomerase I activity | Bioorg Med Chem Lett 15: 2065-8 (2005) Article DOI: 10.1016/j.bmcl.2005.02.052 BindingDB Entry DOI: 10.7270/Q2WH2R6D | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Topoisomerase II alpha (HuTopoIIα) (Homo sapiens (Human)) | BDBM50164888 (6-Hydroxy-3-[1-(4-hydroxy-phenyl)-meth-(E)-ylidene...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | >4.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Kumamoto University Curated by ChEMBL | Assay Description Inhibitory concentration against DNA topoisomerase II activity | Bioorg Med Chem Lett 15: 2065-8 (2005) Article DOI: 10.1016/j.bmcl.2005.02.052 BindingDB Entry DOI: 10.7270/Q2WH2R6D | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| DNA topoisomerase I (Mus musculus) | BDBM50164888 (6-Hydroxy-3-[1-(4-hydroxy-phenyl)-meth-(E)-ylidene...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | >4.00E+5 | 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 | |||||||||||||
