BDBM15597 N-Methyl,N-(3-phenylpropyl),N-(pyrrol-2-ylmethyl)amine::methyl(3-phenylpropyl)(1H-pyrrol-2-ylmethyl)amine::pyrrole inhibitor 22

SMILES: CN(CCCc1ccccc1)Cc1ccc[nH]1

InChI Key: InChIKey=VRVKOFWAERZEIX-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 15597   

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 A (MAO-A) (Bos taurus)	BDBM15597 (N-Methyl,N-(3-phenylpropyl),N-(pyrrol-2-ylmethyl)a...) Show SMILES CN(CCCc1ccccc1)Cc1ccc[nH]1 Show InChI InChI=1S/C15H20N2/c1-17(13-15-10-5-11-16-15)12-6-9-14-7-3-2-4-8-14/h2-5,7-8,10-11,16H,6,9,12-13H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	50	-10.4	n/a	n/a	n/a	n/a	n/a	7.4	38
Universita di Roma La Sapienza					Assay Description MAO A and MAO B activities were determined spectrophotometrically using kinuramine as substrates. Fluorimetric measurements were recorded with a Perk...				J Med Chem 50: 922-31 (2007) Article DOI: 10.1021/jm060882y BindingDB Entry DOI: 10.7270/Q2GH9G61
					More data for this Ligand-Target Pair
Monoamine Oxidase Type B (MAO-B) (Bos taurus)	BDBM15597 (N-Methyl,N-(3-phenylpropyl),N-(pyrrol-2-ylmethyl)a...) Show SMILES CN(CCCc1ccccc1)Cc1ccc[nH]1 Show InChI InChI=1S/C15H20N2/c1-17(13-15-10-5-11-16-15)12-6-9-14-7-3-2-4-8-14/h2-5,7-8,10-11,16H,6,9,12-13H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universita di Roma La Sapienza					Assay Description MAO A and MAO B activities were determined spectrophotometrically using kinuramine as substrates. Fluorimetric measurements were recorded with a Perk...				J Med Chem 50: 922-31 (2007) Article DOI: 10.1021/jm060882y BindingDB Entry DOI: 10.7270/Q2GH9G61
					More data for this Ligand-Target Pair
Amine oxidase (flavin-containing) A (Homo sapiens (Human))	BDBM15597 (N-Methyl,N-(3-phenylpropyl),N-(pyrrol-2-ylmethyl)a...) Show SMILES CN(CCCc1ccccc1)Cc1ccc[nH]1 Show InChI InChI=1S/C15H20N2/c1-17(13-15-10-5-11-16-15)12-6-9-14-7-3-2-4-8-14/h2-5,7-8,10-11,16H,6,9,12-13H2,1H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	5.00E+7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bharati Vidyapeeth Deemed University Curated by ChEMBL					Assay Description Inhibition of MAO-A receptor				Bioorg Med Chem Lett 21: 2419-24 (2011) Article DOI: 10.1016/j.bmcl.2011.02.072 BindingDB Entry DOI: 10.7270/Q2QZ2C6S
					More data for this Ligand-Target Pair