BDBM50088559 CHEMBL3577046

SMILES: COC(=O)CCCNC(=O)c1ccc(NC(=O)C(=O)c2ccccc2NC(C)=O)cc1

InChI Key: InChIKey=RBKNWAMPWZEBLH-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 = 50088559   

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 B (Bos taurus)	BDBM50088559 (CHEMBL3577046) Show SMILES COC(=O)CCCNC(=O)c1ccc(NC(=O)C(=O)c2ccccc2NC(C)=O)cc1 Show InChI InChI=1S/C22H23N3O6/c1-14(26)24-18-7-4-3-6-17(18)20(28)22(30)25-16-11-9-15(10-12-16)21(29)23-13-5-8-19(27)31-2/h3-4,6-7,9-12H,5,8,13H2,1-2H3,(H,23,29)(H,24,26)(H,25,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.90	n/a	n/a	n/a	n/a	n/a	n/a
King Saud University Curated by ChEMBL					Assay Description Inhibition of MAO-B in bovine brain mitochondria using benzylamine as substrate				Bioorg Med Chem Lett 25: 70-4 (2015) Article DOI: 10.1016/j.bmcl.2014.11.007 BindingDB Entry DOI: 10.7270/Q24F1SGH
					More data for this Ligand-Target Pair
Monoamine oxidase (Rattus norvegicus (rat))	BDBM50088559 (CHEMBL3577046) Show SMILES COC(=O)CCCNC(=O)c1ccc(NC(=O)C(=O)c2ccccc2NC(C)=O)cc1 Show InChI InChI=1S/C22H23N3O6/c1-14(26)24-18-7-4-3-6-17(18)20(28)22(30)25-16-11-9-15(10-12-16)21(29)23-13-5-8-19(27)31-2/h3-4,6-7,9-12H,5,8,13H2,1-2H3,(H,23,29)(H,24,26)(H,25,30)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.90	n/a	n/a	n/a	n/a	n/a	n/a
King Saud University Curated by ChEMBL					Assay Description Inhibition of MAO-A in rat liver mitochondria using serotonin as substrate preincubated with enzyme for 60 mins prior to substrate addition				Bioorg Med Chem Lett 25: 70-4 (2015) Article DOI: 10.1016/j.bmcl.2014.11.007 BindingDB Entry DOI: 10.7270/Q24F1SGH
					More data for this Ligand-Target Pair