BDBM50157840 1-((2,3-dihydrobenzo[b][1,4]dioxin-2-yl)methyl)-3-hydroxythieno[3,2-d]pyrimidine-2,4(1H,3H)-dione (1)::1-(2,3-Dihydro-benzo[1,4]dioxin-2-ylmethyl)-3-hydroxy-1H-thieno[3,2-d]pyrimidine-2,4-dione::CHEMBL361546
SMILES: On1c(=O)n(CC2COc3ccccc3O2)c2ccsc2c1=O
InChI Key: InChIKey=MXQGCMQXTPTJJT-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 |
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Flap endonuclease 1 (aa 1-336) (Homo sapiens (Human)) | BDBM50157840 (1-((2,3-dihydrobenzo[b][1,4]dioxin-2-yl)methyl)-3-...) | PDB GoogleScholar AffyNet | Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents | PDB Article PubMed | n/a | n/a | 46.4 | n/a | n/a | n/a | n/a | 7.5 | n/a |
University of Sheffield | Assay Description Reaction mixtures containing twelve different concentrations of FAM-labeled DF1 (Supplementary Fig. 5a) substrate were prepared in reaction buffer (R... | Nat Chem Biol 12: 815-21 (2016) Article DOI: 10.1038/nchembio.2148 BindingDB Entry DOI: 10.7270/Q2RJ4H88 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Flap endonuclease 1 (Homo sapiens (Human)) | BDBM50157840 (1-((2,3-dihydrobenzo[b][1,4]dioxin-2-yl)methyl)-3-...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents | PDB Article PubMed | n/a | n/a | 0.0110 | n/a | n/a | n/a | n/a | n/a | n/a |
Athersys, Inc. Curated by ChEMBL | Assay Description Inhibitory concentration against the Flap endonuclease-1 | Bioorg Med Chem Lett 15: 277-81 (2004) Article DOI: 10.1016/j.bmcl.2004.10.086 BindingDB Entry DOI: 10.7270/Q2HD7V46 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
DNA excision repair protein ERCC-5 (Homo sapiens (Human)) | BDBM50157840 (1-((2,3-dihydrobenzo[b][1,4]dioxin-2-yl)methyl)-3-...) | PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents | Article PubMed | n/a | n/a | 0.292 | n/a | n/a | n/a | n/a | n/a | n/a |
Athersys, Inc. Curated by ChEMBL | Assay Description Inhibitory concentration against the xeroderma pigmentosum G | Bioorg Med Chem Lett 15: 277-81 (2004) Article DOI: 10.1016/j.bmcl.2004.10.086 BindingDB Entry DOI: 10.7270/Q2HD7V46 | |||||||||||
More data for this Ligand-Target Pair |