BDBM50088561 CHEMBL3577044

SMILES: COC(=O)C[C@H](NC(=O)c1ccc(NC(=O)C(=O)c2ccccc2NC(C)=O)cc1)C(=O)OC

InChI Key: InChIKey=MWMJYWFRAHLYOS-SFHVURJKSA-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 = 50088561   

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)	BDBM50088561 (CHEMBL3577044) Show SMILES COC(=O)C[C@H](NC(=O)c1ccc(NC(=O)C(=O)c2ccccc2NC(C)=O)cc1)C(=O)OC |r| Show InChI InChI=1S/C23H23N3O8/c1-13(27)24-17-7-5-4-6-16(17)20(29)22(31)25-15-10-8-14(9-11-15)21(30)26-18(23(32)34-3)12-19(28)33-2/h4-11,18H,12H2,1-3H3,(H,24,27)(H,25,31)(H,26,30)/t18-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.90	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))	BDBM50088561 (CHEMBL3577044) Show SMILES COC(=O)C[C@H](NC(=O)c1ccc(NC(=O)C(=O)c2ccccc2NC(C)=O)cc1)C(=O)OC |r| Show InChI InChI=1S/C23H23N3O8/c1-13(27)24-17-7-5-4-6-16(17)20(29)22(31)25-15-10-8-14(9-11-15)21(30)26-18(23(32)34-3)12-19(28)33-2/h4-11,18H,12H2,1-3H3,(H,24,27)(H,25,31)(H,26,30)/t18-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	6	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