BDBM50131456 CHEMBL327396::Hexanoic acid (2S,3R)-2-(3,4-dihydroxy-phenyl)-7,8-dihydroxy-chroman-3-yl ester

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

InChI Key: InChIKey=JFECJEQZHIZOBF-XLIONFOSSA-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 = 50131456   

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))	BDBM50131456 (CHEMBL327396 | Hexanoic acid (2S,3R)-2-(3,4-dihydr...) Show SMILES CCCCCC(=O)O[C@@H]1Cc2ccc(O)c(O)c2O[C@H]1c1ccc(O)c(O)c1 Show InChI InChI=1S/C21H24O7/c1-2-3-4-5-18(25)27-17-11-13-7-9-15(23)19(26)21(13)28-20(17)12-6-8-14(22)16(24)10-12/h6-10,17,20,22-24,26H,2-5,11H2,1H3/t17-,20+/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	1.29E+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