BindingDB PrimarySearch

null

SMILES: COc1cc(cc(OC)c1O)[C@H]1[C@@H]2[C@H](COC2=O)[C@H](O[C@@H]2O[C@@H]3CO[C@@H](C)O[C@H]3[C@H](O)[C@H]2O)c2cc3OCOc3cc12

InChI Key: InChIKey=VJJPUSNTGOMMGY-MRVIYFEKSA-N

PDB links: 13 PDB IDs match this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 57 hits for monomerid = 50127140
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
DNA topoisomerase 2-alpha (Homo sapiens (Human))	BDBM50127140 ((-)-etoposide \| (5S,5aR,8aR,9R)-9-(4-hydroxy-3,5-d...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	1.20E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human topoisomerase 2alpha using supercoiled pBR322 DNA as substrate incubated for 60 mins by ethidium bromide dye based ag...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00774 BindingDB Entry DOI: 10.7270/Q26H4N2X
TBA					More data for this Ligand-Target Pair				3D Structure (crystal)
DNA topoisomerase 1 (Homo sapiens (Human))	BDBM50127140 ((-)-etoposide \| (5S,5aR,8aR,9R)-9-(4-hydroxy-3,5-d...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	>3.50E+5	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
Medical University					More data for this Ligand-Target Pair
DNA topoisomerase 2-alpha (Homo sapiens (Human))	BDBM50127140 ((-)-etoposide \| (5S,5aR,8aR,9R)-9-(4-hydroxy-3,5-d...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	5.95E+4	n/a	n/a	n/a	n/a	7.9	n/a
Jamia Millia Islamia (A Central University)					Assay Description Relaxation of negatively supercoiled plasmid DNA by human topoisomerase IIα was assayed in 20 �L of reaction buffer (10 mM Tris-HCl, pH 7.9, 150...				Bioorg Chem 69: 77-90 (2016) Article DOI: 10.1016/j.bioorg.2016.10.001 BindingDB Entry DOI: 10.7270/Q21V5CS9
Jamia Millia Islamia (A Central University)					More data for this Ligand-Target Pair				3D Structure (crystal)
Nuclear receptor coactivator 1 (Homo sapiens (Human))	BDBM50127140 ((-)-etoposide \| (5S,5aR,8aR,9R)-9-(4-hydroxy-3,5-d...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PCBioAssay	n/a	n/a	>1.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...				PubChem Bioassay (2012) BindingDB Entry DOI: 10.7270/Q28914F2
					More data for this Ligand-Target Pair
DNA topoisomerase 2-alpha (Homo sapiens (Human))	BDBM50127140 ((-)-etoposide \| (5S,5aR,8aR,9R)-9-(4-hydroxy-3,5-d...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	6.83E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human DNA topoisomerase 2alpha assessed as suppression of decatenation using catenated kinetoplast DNA as substrate measured after 30 m...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112504 BindingDB Entry DOI: 10.7270/Q2VT1WRN
TBA					More data for this Ligand-Target Pair				3D Structure (crystal)
Nuclear receptor coactivator 3 (Homo sapiens (Human))	BDBM50127140 ((-)-etoposide \| (5S,5aR,8aR,9R)-9-(4-hydroxy-3,5-d...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PCBioAssay	n/a	n/a	2.48E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...				PubChem Bioassay (2012) BindingDB Entry DOI: 10.7270/Q2HT2MXV
					More data for this Ligand-Target Pair
Tegument protein VP16 (Human herpesvirus 1 (strain 17) (HHV-1) (Human her...)	BDBM50127140 ((-)-etoposide \| (5S,5aR,8aR,9R)-9-(4-hydroxy-3,5-d...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PCBioAssay	n/a	n/a	>3.59E+4	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...				PubChem Bioassay (2012) BindingDB Entry DOI: 10.7270/Q2D21W6V
					More data for this Ligand-Target Pair

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