BDBM50047048 3-[2-(4-Benzyloxy-phenyl)-5-oxo-5,6-dihydro-[1,3,4]oxadiazin-4-yl]-propionitrile::CHEMBL16825

SMILES: O=C1COC(=NN1CCC#N)c1ccc(OCc2ccccc2)cc1

InChI Key: InChIKey=UXBPSMVHPAHYEK-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 = 50047048   

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))	BDBM50047048 (3-[2-(4-Benzyloxy-phenyl)-5-oxo-5,6-dihydro-[1,3,4...) Show SMILES O=C1COC(=NN1CCC#N)c1ccc(OCc2ccccc2)cc1 |c:4| Show InChI InChI=1S/C19H17N3O3/c20-11-4-12-22-18(23)14-25-19(21-22)16-7-9-17(10-8-16)24-13-15-5-2-1-3-6-15/h1-3,5-10H,4,12-14H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Paris 7 Curated by ChEMBL					Assay Description In vitro inhibitory activity on rat brain MAO-B.				J Med Chem 36: 1157-67 (1993) BindingDB Entry DOI: 10.7270/Q2765FZP
					More data for this Ligand-Target Pair
Monoamine oxidase (Rattus norvegicus (rat))	BDBM50047048 (3-[2-(4-Benzyloxy-phenyl)-5-oxo-5,6-dihydro-[1,3,4...) Show SMILES O=C1COC(=NN1CCC#N)c1ccc(OCc2ccccc2)cc1 |c:4| Show InChI InChI=1S/C19H17N3O3/c20-11-4-12-22-18(23)14-25-19(21-22)16-7-9-17(10-8-16)24-13-15-5-2-1-3-6-15/h1-3,5-10H,4,12-14H2	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.60E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Paris 7 Curated by ChEMBL					Assay Description In vitro inhibitory activity on rat brain by monoamine oxidase A (MAO-A)				J Med Chem 36: 1157-67 (1993) BindingDB Entry DOI: 10.7270/Q2765FZP
					More data for this Ligand-Target Pair