BDBM50049299 7-ethyl-7-hydroxy-14-(3-methyl-1H-imidazol-3-ium-1-ylmethyl)-(7S)-7,8,11,13-tetrahydro-10H-[1,3]dioxolo[5,4-g]pyrano[3',4':6,7]indolizino[1,2-b]quinoline-8,11-dione::CHEMBL163006
SMILES: CC[C@@]1(O)C(=O)OCc2c1cc1-c3nc4cc5OCOc5cc4c(Cn4cc[n+](C)c4)c3Cn1c2=O
InChI Key: InChIKey=CXCBFRJEPZDRIX-SANMLTNESA-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)) | BDBM50049299 (7-ethyl-7-hydroxy-14-(3-methyl-1H-imidazol-3-ium-1...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 220 | n/a | n/a | n/a | n/a | n/a | n/a |
Glaxo Wellcome Research Institute Curated by ChEMBL | Assay Description Average concentration of compound to cause 50% inhibition of topoisomerase-I | J Med Chem 39: 713-9 (1996) Article DOI: 10.1021/jm950507y BindingDB Entry DOI: 10.7270/Q2416W41 | |||||||||||
More data for this Ligand-Target Pair |