BDBM50381226 PIPERIC ACID

SMILES: OC(=O)\C=C\C=C\c1ccc2OCOc2c1

InChI Key: InChIKey=RHBGITBPARBDPH-ZPUQHVIOSA-N

Data: 2 IC50  1 ITC

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 = 50381226   

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
Monoamine Oxidase Type B (MAO-B) (Rattus norvegicus (rat))	BDBM50381226 (PIPERIC ACID) Show SMILES OC(=O)\C=C\C=C\c1ccc2OCOc2c1 Show InChI InChI=1S/C12H10O4/c13-12(14)4-2-1-3-9-5-6-10-11(7-9)16-8-15-10/h1-7H,8H2,(H,13,14)/b3-1+,4-2+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.36E+4	n/a	n/a	n/a	n/a	n/a	n/a
General Hospital of PLA Curated by ChEMBL					Assay Description Inhibition of MAO-B in Sprague-Dawley rat brain homogenate using kynuramine as substrate preincubated for 10 mins measured by fluorimetric assay				Bioorg Med Chem Lett 22: 3343-8 (2012) Article DOI: 10.1016/j.bmcl.2012.02.090 BindingDB Entry DOI: 10.7270/Q2JW8FWM
					More data for this Ligand-Target Pair
Monoamine oxidase (Rattus norvegicus (rat))	BDBM50381226 (PIPERIC ACID) Show SMILES OC(=O)\C=C\C=C\c1ccc2OCOc2c1 Show InChI InChI=1S/C12H10O4/c13-12(14)4-2-1-3-9-5-6-10-11(7-9)16-8-15-10/h1-7H,8H2,(H,13,14)/b3-1+,4-2+	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.83E+4	n/a	n/a	n/a	n/a	n/a	n/a
General Hospital of PLA Curated by ChEMBL					Assay Description Inhibition of MAO-A in Sprague-Dawley rat brain homogenate using kynuramine as substrate preincubated for 10 mins measured by fluorimetric assay				Bioorg Med Chem Lett 22: 3343-8 (2012) Article DOI: 10.1016/j.bmcl.2012.02.090 BindingDB Entry DOI: 10.7270/Q2JW8FWM
					More data for this Ligand-Target Pair

Activity Spreadsheet -- ITC Data from BindingDB

Found 1 hit for monomerid = 50381226

Cell (A)	Syringe (B)	Cell Links	Syringe Links	Cell + Syr Links	ΔG° kcal/mole	-TΔS° kcal/mole	ΔH° kcal/mole	log K	pH	Temp °C
Lipoxygenase type I-B (LOX) (Glycine max (Soybean))	BDBM50381226 (PIPERIC ACID)	GoogleScholar	CHEBI PC cid PC sid		-8.10	-468	461	5.94	8	25
Kannur University, Thalassery Campus					Chem Biol Drug Des 85: 715-21 (2015)