BDBM50109029 4-{10,13-Dimethyl-3-[3-(6-{6-[5-(2-oxo-hexahydro-thieno[3,4-d]imidazol-6-yl)-pentanoylamino]-hexanoylamino}-hexanoylamino)-propionyloxy]-hexadecahydro-cyclopenta[a]phenanthren-17-yl}-pentanoic acid::CHEMBL3137892
SMILES: [H][C@@](C)(CCC(O)=O)[C@@]1([H])CC[C@@]2([H])[C@]3([H])CCC4C[C@H](CC[C@]4(C)[C@@]3([H])CC[C@]12C)OC(=O)CCNC(=O)CCCCCNC(=O)CCCCCNC(=O)CCCCC1SCC2NC(=O)NC12
InChI Key: InChIKey=OJMWVAOJJCLVOH-ZPSVLFRYSA-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 polymerase beta (Rattus norvegicus) | BDBM50109029 (4-{10,13-Dimethyl-3-[3-(6-{6-[5-(2-oxo-hexahydro-t...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 1.28E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Tokyo University of Science Curated by ChEMBL | Assay Description Inhibition constant of the compound was determined at a concentration of 5 microM on rat DNA polymerase beta as a function of template primer dose | Bioorg Med Chem Lett 12: 287-90 (2002) BindingDB Entry DOI: 10.7270/Q2K936TC | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
DNA polymerase beta (Rattus norvegicus) | BDBM50109029 (4-{10,13-Dimethyl-3-[3-(6-{6-[5-(2-oxo-hexahydro-t...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 2.01E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Tokyo University of Science Curated by ChEMBL | Assay Description Inhibition constant of the compound was determined at a concentration of 10 microM on rat DNA polymerase beta as a function of template primer dose | Bioorg Med Chem Lett 12: 287-90 (2002) BindingDB Entry DOI: 10.7270/Q2K936TC | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
DNA polymerase beta (Rattus norvegicus) | BDBM50109029 (4-{10,13-Dimethyl-3-[3-(6-{6-[5-(2-oxo-hexahydro-t...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 3.20E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Tokyo University of Science Curated by ChEMBL | Assay Description Inhibitory effect of the compound on the activity of mammalian DNA polymerase beta was determined by inhibitory dose curves | Bioorg Med Chem Lett 12: 287-90 (2002) BindingDB Entry DOI: 10.7270/Q2K936TC | |||||||||||
More data for this Ligand-Target Pair |