null
SMILES: COc1ccc(\C=N\Nc2nc(cs2)-c2c3OC4=CC(O)=C(C(C)=O)C(=O)[C@]4(C)c3c(O)c(C)c2O)cc1
InChI Key: InChIKey=GBQFTCXONCOLDN-ZNDVKXBSSA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Tyrosyl-DNA phosphodiesterase 1 (Homo sapiens (Human)) | BDBM50507139![]() (CHEMBL4446104) | PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet ![]() | PC cid PC sid UniChem | Article PubMed | n/a | n/a | n/a | 8.65E+3 | n/a | n/a | n/a | n/a | n/a |
Siberian Branch of the Russian Academy of Sciences Curated by ChEMBL | Assay Description Binding affinity to recombinant human Tdp1 (149 to 608 residues) expressed in Escherichia coli BL21 (DE3) by tryptophan fluorescence quenching assay | Eur J Med Chem 161: 581-593 (2019) Article DOI: 10.1016/j.ejmech.2018.10.055 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Tyrosyl-DNA phosphodiesterase 1 (Homo sapiens (Human)) | BDBM50507139![]() (CHEMBL4446104) | PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet ![]() | PC cid PC sid UniChem | Article PubMed | n/a | n/a | 158 | n/a | n/a | n/a | n/a | n/a | n/a |
Siberian Branch of the Russian Academy of Sciences Curated by ChEMBL | Assay Description Inhibition of recombinant human full-length N-terminal His-tagged Tdp1 expressed in Escherichia coli BL21 (DE3) using 5'-(5,6 FAM-aac gtc agg gtc ttc... | Eur J Med Chem 161: 581-593 (2019) Article DOI: 10.1016/j.ejmech.2018.10.055 | |||||||||||
More data for this Ligand-Target Pair |