BDBM50047035 3-{2-[4-(3-Chloro-benzyloxy)-phenyl]-5-oxo-5,6-dihydro-[1,3,4]oxadiazin-4-yl}-propionitrile::CHEMBL17078

SMILES: Clc1cccc(COc2ccc(cc2)C2=NN(CCC#N)C(=O)CO2)c1

InChI Key: InChIKey=SCPIZDAQSBLREP-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 = 50047035   

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))	BDBM50047035 (3-{2-[4-(3-Chloro-benzyloxy)-phenyl]-5-oxo-5,6-dih...) Show SMILES Clc1cccc(COc2ccc(cc2)C2=NN(CCC#N)C(=O)CO2)c1 |t:15| Show InChI InChI=1S/C19H16ClN3O3/c20-16-4-1-3-14(11-16)12-25-17-7-5-15(6-8-17)19-22-23(10-2-9-21)18(24)13-26-19/h1,3-8,11H,2,10,12-13H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	13	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))	BDBM50047035 (3-{2-[4-(3-Chloro-benzyloxy)-phenyl]-5-oxo-5,6-dih...) Show SMILES Clc1cccc(COc2ccc(cc2)C2=NN(CCC#N)C(=O)CO2)c1 |t:15| Show InChI InChI=1S/C19H16ClN3O3/c20-16-4-1-3-14(11-16)12-25-17-7-5-15(6-8-17)19-22-23(10-2-9-21)18(24)13-26-19/h1,3-8,11H,2,10,12-13H2	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.30E+4	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