BDBM50333140 2-((2-bromophenoxy)methyl)-7-methyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one::CHEMBL1644703

SMILES: Cc1cc(=O)n2nc(COc3ccccc3Br)sc2n1

InChI Key: InChIKey=JZKXBIWJIAZNBT-UHFFFAOYSA-N

Data: 2 IC50

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 2 hits for monomerid = 50333140   

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
Xanthine dehydrogenase/oxidase (Rattus norvegicus)	BDBM50333140 (2-((2-bromophenoxy)methyl)-7-methyl-5H-[1,3,4]thia...) Show SMILES Cc1cc(=O)n2nc(COc3ccccc3Br)sc2n1 Show InChI InChI=1S/C13H10BrN3O2S/c1-8-6-12(18)17-13(15-8)20-11(16-17)7-19-10-5-3-2-4-9(10)14/h2-6H,7H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	413	n/a	n/a	n/a	n/a	n/a	n/a
University of Mysore Curated by ChEMBL					Assay Description Inhibition of rat liver xanthine oxidase by spectrophotometry				Bioorg Med Chem 19: 211-20 (2011) Article DOI: 10.1016/j.bmc.2010.11.034 BindingDB Entry DOI: 10.7270/Q26H4HPB
					More data for this Ligand-Target Pair
Xanthine dehydrogenase (Bos taurus (Bovine))	BDBM50333140 (2-((2-bromophenoxy)methyl)-7-methyl-5H-[1,3,4]thia...) Show SMILES Cc1cc(=O)n2nc(COc3ccccc3Br)sc2n1 Show InChI InChI=1S/C13H10BrN3O2S/c1-8-6-12(18)17-13(15-8)20-11(16-17)7-19-10-5-3-2-4-9(10)14/h2-6H,7H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	603	n/a	n/a	n/a	n/a	n/a	n/a
University of Mysore Curated by ChEMBL					Assay Description Inhibition of bovine milk xanthine oxidase by spectrophotometry				Bioorg Med Chem 19: 211-20 (2011) Article DOI: 10.1016/j.bmc.2010.11.034 BindingDB Entry DOI: 10.7270/Q26H4HPB
					More data for this Ligand-Target Pair