BDBM50131453 Butyric acid (2S,3R)-2-(3,4-dihydroxy-phenyl)-7,8-dihydroxy-chroman-3-yl ester::CHEMBL94510

SMILES: CCCC(=O)O[C@@H]1Cc2ccc(O)c(O)c2O[C@H]1c1ccc(O)c(O)c1

InChI Key: InChIKey=KJMLYVTVQBZATK-QAPCUYQASA-N

Data: 1 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 1 hit for monomerid = 50131453   

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 (Homo sapiens (Human))	BDBM50131453 (Butyric acid (2S,3R)-2-(3,4-dihydroxy-phenyl)-7,8-...) Show SMILES CCCC(=O)O[C@@H]1Cc2ccc(O)c(O)c2O[C@H]1c1ccc(O)c(O)c1 Show InChI InChI=1S/C19H20O7/c1-2-3-16(23)25-15-9-11-5-7-13(21)17(24)19(11)26-18(15)10-4-6-12(20)14(22)8-10/h4-8,15,18,20-22,24H,2-3,9H2,1H3/t15-,18+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.39E+5	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Chemical Technology Curated by ChEMBL					Assay Description Inhibition of Xanthine oxidase				Bioorg Med Chem Lett 13: 2777-80 (2003) BindingDB Entry DOI: 10.7270/Q2M61KS0
					More data for this Ligand-Target Pair