BDBM50104896 7-(2-(2-(2-hydroxyethoxy)ethoxy)ethoxy)-3-(4-hydroxyphenyl)-4H-chromen-4-one::7-{2-[2-(2-Hydroxy-ethoxy)-ethoxy]-ethoxy}-3-(4-hydroxy-phenyl)-chromen-4-one::CHEMBL114083

SMILES: OCCOCCOCCOc1ccc2c(c1)occ(-c1ccc(O)cc1)c2=O

InChI Key: InChIKey=IRIURZYEEIZBHM-UHFFFAOYSA-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 = 50104896   

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
Aldehyde dehydrogenase, mitochondrial (Homo sapiens (Human))	BDBM50104896 (7-(2-(2-(2-hydroxyethoxy)ethoxy)ethoxy)-3-(4-hydro...) Show SMILES OCCOCCOCCOc1ccc2c(c1)occ(-c1ccc(O)cc1)c2=O Show InChI InChI=1S/C21H22O7/c22-7-8-25-9-10-26-11-12-27-17-5-6-18-20(13-17)28-14-19(21(18)24)15-1-3-16(23)4-2-15/h1-6,13-14,22-23H,7-12H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of hamster liver aldehyde dehydrogenase ALDH-2				J Med Chem 44: 3320-8 (2001) BindingDB Entry DOI: 10.7270/Q2CC0ZZZ
					More data for this Ligand-Target Pair