BDBM50400106 CHEMBL2178982

SMILES: CC(=NNC(=O)COc1ccc2c(C)cc(=O)oc2c1)c1ccc(Cl)cc1

InChI Key: InChIKey=ZSMDBDHIKFAPTC-UHFFFAOYSA-N

Data: 2 KI

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 = 50400106   

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)	BDBM50400106 (CHEMBL2178982) Show SMILES CC(=NNC(=O)COc1ccc2c(C)cc(=O)oc2c1)c1ccc(Cl)cc1 |w:2.2| Show InChI InChI=1S/C20H17ClN2O4/c1-12-9-20(25)27-18-10-16(7-8-17(12)18)26-11-19(24)23-22-13(2)14-3-5-15(21)6-4-14/h3-10H,11H2,1-2H3,(H,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Research Center Curated by ChEMBL					Assay Description Inhibition of bovine brain MAOA using kinuramine as substrate preincubated for 30 mins prior to substrate addition measured after 30 mins by fluorome...				J Med Chem 55: 10424-36 (2012) Article DOI: 10.1021/jm301014y BindingDB Entry DOI: 10.7270/Q2G73FWJ
					More data for this Ligand-Target Pair
Monoamine oxidase (Bos taurus)	BDBM50400106 (CHEMBL2178982) Show SMILES CC(=NNC(=O)COc1ccc2c(C)cc(=O)oc2c1)c1ccc(Cl)cc1 |w:2.2| Show InChI InChI=1S/C20H17ClN2O4/c1-12-9-20(25)27-18-10-16(7-8-17(12)18)26-11-19(24)23-22-13(2)14-3-5-15(21)6-4-14/h3-10H,11H2,1-2H3,(H,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	684	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Research Center Curated by ChEMBL					Assay Description Inhibition of bovine brain MAOB using kinuramine as substrate preincubated for 30 mins prior to substrate addition measured after 30 mins by fluorome...				J Med Chem 55: 10424-36 (2012) Article DOI: 10.1021/jm301014y BindingDB Entry DOI: 10.7270/Q2G73FWJ
					More data for this Ligand-Target Pair