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

Data: 3 IC50

PDB links: 1 PDB ID matches this monomer.

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50157840   

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
Flap endonuclease 1 (aa 1-336) (Homo sapiens (Human))	BDBM50157840 (1-((2,3-dihydrobenzo[b][1,4]dioxin-2-yl)methyl)-3-...) Show SMILES On1c(=O)n(CC2COc3ccccc3O2)c2ccsc2c1=O Show InChI InChI=1S/C15H12N2O5S/c18-14-13-10(5-6-23-13)16(15(19)17(14)20)7-9-8-21-11-3-1-2-4-12(11)22-9/h1-6,9,20H,7-8H2	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-...) Show SMILES On1c(=O)n(CC2COc3ccccc3O2)c2ccsc2c1=O Show InChI InChI=1S/C15H12N2O5S/c18-14-13-10(5-6-23-13)16(15(19)17(14)20)7-9-8-21-11-3-1-2-4-12(11)22-9/h1-6,9,20H,7-8H2	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-...) Show SMILES On1c(=O)n(CC2COc3ccccc3O2)c2ccsc2c1=O Show InChI InChI=1S/C15H12N2O5S/c18-14-13-10(5-6-23-13)16(15(19)17(14)20)7-9-8-21-11-3-1-2-4-12(11)22-9/h1-6,9,20H,7-8H2	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