BDBM10816 3-{2-[methyl(prop-2-yn-1-yl)amino]ethyl}phenyl N,N-dimethylcarbamate::Phenethylamine deriv. 51a

SMILES: CN(CCc1cccc(OC(=O)N(C)C)c1)CC#C

InChI Key: InChIKey=XFPHEDHECANCFF-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 10816   

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
Acetylcholinesterase (Homo sapiens (Human))	BDBM10816 (3-{2-[methyl(prop-2-yn-1-yl)amino]ethyl}phenyl N,N...) Show SMILES CN(CCc1cccc(OC(=O)N(C)C)c1)CC#C Show InChI InChI=1S/C15H20N2O2/c1-5-10-17(4)11-9-13-7-6-8-14(12-13)19-15(18)16(2)3/h1,6-8,12H,9-11H2,2-4H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	850	n/a	n/a	n/a	n/a	n/a	n/a
Teva Pharmaceutical Industries					Assay Description The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 412 nm were recorded for 5 min with ...				J Med Chem 45: 5260-79 (2002) Article DOI: 10.1021/jm020120c BindingDB Entry DOI: 10.7270/Q2GQ6W07
					More data for this Ligand-Target Pair
Monoamine Oxidase Type B (MAO-B) (Rattus norvegicus (rat))	BDBM10816 (3-{2-[methyl(prop-2-yn-1-yl)amino]ethyl}phenyl N,N...) Show SMILES CN(CCc1cccc(OC(=O)N(C)C)c1)CC#C Show InChI InChI=1S/C15H20N2O2/c1-5-10-17(4)11-9-13-7-6-8-14(12-13)19-15(18)16(2)3/h1,6-8,12H,9-11H2,2-4H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Teva Pharmaceutical Industries					Assay Description Inhibition of MAO activity was determined by a radiometric procedure from Tipton and Youdim. Homogenized rat brain was used as the source of enzymes....				J Med Chem 45: 5260-79 (2002) Article DOI: 10.1021/jm020120c BindingDB Entry DOI: 10.7270/Q2GQ6W07
					More data for this Ligand-Target Pair
Monoamine oxidase (Rattus norvegicus (rat))	BDBM10816 (3-{2-[methyl(prop-2-yn-1-yl)amino]ethyl}phenyl N,N...) Show SMILES CN(CCc1cccc(OC(=O)N(C)C)c1)CC#C Show InChI InChI=1S/C15H20N2O2/c1-5-10-17(4)11-9-13-7-6-8-14(12-13)19-15(18)16(2)3/h1,6-8,12H,9-11H2,2-4H3	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
Teva Pharmaceutical Industries					Assay Description Inhibition of MAO activity was determined by a radiometric procedure from Tipton and Youdim. Homogenized rat brain was used as the source of enzymes....				J Med Chem 45: 5260-79 (2002) Article DOI: 10.1021/jm020120c BindingDB Entry DOI: 10.7270/Q2GQ6W07
					More data for this Ligand-Target Pair