BDBM10832 3-[2-(but-3-yn-2-ylamino)ethyl]phenyl N,N-dimethylcarbamate::Phenethylamine deriv. 54a

SMILES: CC(NCCc1cccc(OC(=O)N(C)C)c1)C#C

InChI Key: InChIKey=JVYLHZUZDRCHDQ-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 10832   

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))	BDBM10832 (3-[2-(but-3-yn-2-ylamino)ethyl]phenyl N,N-dimethyl...) Show SMILES CC(NCCc1cccc(OC(=O)N(C)C)c1)C#C Show InChI InChI=1S/C15H20N2O2/c1-5-12(2)16-10-9-13-7-6-8-14(11-13)19-15(18)17(3)4/h1,6-8,11-12,16H,9-10H2,2-4H3	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	170	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))	BDBM10832 (3-[2-(but-3-yn-2-ylamino)ethyl]phenyl N,N-dimethyl...) Show SMILES CC(NCCc1cccc(OC(=O)N(C)C)c1)C#C Show InChI InChI=1S/C15H20N2O2/c1-5-12(2)16-10-9-13-7-6-8-14(11-13)19-15(18)17(3)4/h1,6-8,11-12,16H,9-10H2,2-4H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+6	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))	BDBM10832 (3-[2-(but-3-yn-2-ylamino)ethyl]phenyl N,N-dimethyl...) Show SMILES CC(NCCc1cccc(OC(=O)N(C)C)c1)C#C Show InChI InChI=1S/C15H20N2O2/c1-5-12(2)16-10-9-13-7-6-8-14(11-13)19-15(18)17(3)4/h1,6-8,11-12,16H,9-10H2,2-4H3	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.40E+5	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
Butyrylcholinesterase (BChE) (Equus caballus (Horse))	BDBM10832 (3-[2-(but-3-yn-2-ylamino)ethyl]phenyl N,N-dimethyl...) Show SMILES CC(NCCc1cccc(OC(=O)N(C)C)c1)C#C Show InChI InChI=1S/C15H20N2O2/c1-5-12(2)16-10-9-13-7-6-8-14(11-13)19-15(18)17(3)4/h1,6-8,11-12,16H,9-10H2,2-4H3	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	240	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