BDBM50142529 Acetic acid 2,3-diacetoxy-5-[2-(3,4,5-triacetoxy-benzoylamino)-phenylcarbamoyl]-phenyl ester::CHEMBL46853
SMILES: CC(=O)Oc1cc(cc(OC(C)=O)c1OC(C)=O)C(=O)Nc1ccccc1NC(=O)c1cc(OC(C)=O)c(OC(C)=O)c(OC(C)=O)c1
InChI Key: InChIKey=NXYQCXADUGUDTO-UHFFFAOYSA-N
Data: 1 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 I (Topo I) (Homo sapiens (Human)) | BDBM50142529 (Acetic acid 2,3-diacetoxy-5-[2-(3,4,5-triacetoxy-b...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 4.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Kumamoto University Curated by ChEMBL | Assay Description Inhibitory concentration against relaxation activity of DNA topoisomerase I by detecting the conversion of supercoiled pBR322 DNA to its relaxed form | Bioorg Med Chem Lett 14: 1669-72 (2004) Article DOI: 10.1016/j.bmcl.2004.01.060 BindingDB Entry DOI: 10.7270/Q2GX4B0X | |||||||||||
More data for this Ligand-Target Pair |