BDBM50093529 7-(4-Bromo-butoxy)-3-(4-hydroxy-phenyl)-chromen-4-one::CHEMBL113617

SMILES: Oc1ccc(cc1)-c1coc2cc(OCCCCBr)ccc2c1=O

InChI Key: InChIKey=PMVOCCAHRSXBSB-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 = 50093529   

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))	BDBM50093529 (7-(4-Bromo-butoxy)-3-(4-hydroxy-phenyl)-chromen-4-...) Show SMILES Oc1ccc(cc1)-c1coc2cc(OCCCCBr)ccc2c1=O Show InChI InChI=1S/C19H17BrO4/c20-9-1-2-10-23-15-7-8-16-18(11-15)24-12-17(19(16)22)13-3-5-14(21)6-4-13/h3-8,11-12,21H,1-2,9-10H2	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	270	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
Aldehyde dehydrogenase, mitochondrial (Homo sapiens (Human))	BDBM50093529 (7-(4-Bromo-butoxy)-3-(4-hydroxy-phenyl)-chromen-4-...) Show SMILES Oc1ccc(cc1)-c1coc2cc(OCCCCBr)ccc2c1=O Show InChI InChI=1S/C19H17BrO4/c20-9-1-2-10-23-15-7-8-16-18(11-15)24-12-17(19(16)22)13-3-5-14(21)6-4-13/h3-8,11-12,21H,1-2,9-10H2	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	270	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of Hamster Liver mitochondrial ALDH-2				J Med Chem 43: 4169-79 (2000) BindingDB Entry DOI: 10.7270/Q2GX49T8
					More data for this Ligand-Target Pair