BDBM50073854 2,10-dihydroxy-12-(3,4,5-trihydroxy-6-hydroxymethyltetrahydro-2H-2-pyranyl)-6,7,12,13-tetrahydro-5H-indolo[2,3-a]pyrrolo[3,4-c]carbazole-5,7-dione::CHEMBL286882
SMILES: OCC1OC(C(O)C(O)C1O)n1c2cc(O)ccc2c2c3C(=O)NC(=O)c3c3c4ccc(O)cc4[nH]c3c12
InChI Key: InChIKey=URWNZLQOQBNPOF-UHFFFAOYSA-N
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)) | BDBM50073854 (2,10-dihydroxy-12-(3,4,5-trihydroxy-6-hydroxymethy...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid PDB UniChem Similars | PDB Article PubMed | n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
deCODE BioStructures Curated by ChEMBL | Assay Description Inhibition of topoisomerase I-DNA complex in trapping assay | J Med Chem 48: 2336-45 (2005) Article DOI: 10.1021/jm049146p BindingDB Entry DOI: 10.7270/Q2CF9QVT | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
DNA topoisomerase I (Topo I) (Homo sapiens (Human)) | BDBM50073854 (2,10-dihydroxy-12-(3,4,5-trihydroxy-6-hydroxymethy...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid PDB UniChem Similars | PDB PubMed | n/a | n/a | 2.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
MediChem Research, Inc. Curated by ChEMBL | Assay Description Concentration of the compound required to inhibit human DNA topoisomerase I (Topo I) | Bioorg Med Chem Lett 9: 145-50 (1999) BindingDB Entry DOI: 10.7270/Q2571B6S | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) |