BDBM50412894 CHEMBL523765

SMILES: CCC(=O)N1N=C(CC1c1ccc(OC)cc1)c1ccc(OC)cc1

InChI Key: InChIKey=QUQLXOURWWEGIZ-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 = 50412894   

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 (Bos taurus)	BDBM50412894 (CHEMBL523765) Show SMILES CCC(=O)N1N=C(CC1c1ccc(OC)cc1)c1ccc(OC)cc1 |c:5| Show InChI InChI=1S/C20H22N2O3/c1-4-20(23)22-19(15-7-11-17(25-3)12-8-15)13-18(21-22)14-5-9-16(24-2)10-6-14/h5-12,19H,4,13H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ La Sapienza Curated by ChEMBL					Assay Description Inhibition of bovine mitochondrial MAOB				Eur J Med Chem 43: 2262-7 (2008) Article DOI: 10.1016/j.ejmech.2007.12.026 BindingDB Entry DOI: 10.7270/Q28053T0
					More data for this Ligand-Target Pair
Monoamine oxidase (Bos taurus)	BDBM50412894 (CHEMBL523765) Show SMILES CCC(=O)N1N=C(CC1c1ccc(OC)cc1)c1ccc(OC)cc1 |c:5| Show InChI InChI=1S/C20H22N2O3/c1-4-20(23)22-19(15-7-11-17(25-3)12-8-15)13-18(21-22)14-5-9-16(24-2)10-6-14/h5-12,19H,4,13H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.17E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ La Sapienza Curated by ChEMBL					Assay Description Inhibition of bovine mitochondrial MAOA				Eur J Med Chem 43: 2262-7 (2008) Article DOI: 10.1016/j.ejmech.2007.12.026 BindingDB Entry DOI: 10.7270/Q28053T0
					More data for this Ligand-Target Pair