BDBM10831 3-[(2S)-2-[methyl(prop-2-yn-1-yl)amino]propyl]phenyl N-cyclohexyl-N-methylcarbamate; methanesulfonic acid::Phenethylamine deriv. (S)53e::Phenethylamine deriv. (S)53e.Mesylate

SMILES: C[C@@H](Cc1cccc(OC(=O)N(C)C2CCCCC2)c1)N(C)CC#C

InChI Key: InChIKey=FTMQGFFVKGHYEQ-KRWDZBQOSA-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 = 10831   

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))	BDBM10831 (3-[(2S)-2-[methyl(prop-2-yn-1-yl)amino]propyl]phen...) Show SMILES C[C@@H](Cc1cccc(OC(=O)N(C)C2CCCCC2)c1)N(C)CC#C |r| Show InChI InChI=1S/C21H30N2O2/c1-5-14-22(3)17(2)15-18-10-9-13-20(16-18)25-21(24)23(4)19-11-7-6-8-12-19/h1,9-10,13,16-17,19H,6-8,11-12,14-15H2,2-4H3/t17-/m0/s1	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	6.30E+3	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))	BDBM10831 (3-[(2S)-2-[methyl(prop-2-yn-1-yl)amino]propyl]phen...) Show SMILES C[C@@H](Cc1cccc(OC(=O)N(C)C2CCCCC2)c1)N(C)CC#C |r| Show InChI InChI=1S/C21H30N2O2/c1-5-14-22(3)17(2)15-18-10-9-13-20(16-18)25-21(24)23(4)19-11-7-6-8-12-19/h1,9-10,13,16-17,19H,6-8,11-12,14-15H2,2-4H3/t17-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	280	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))	BDBM10831 (3-[(2S)-2-[methyl(prop-2-yn-1-yl)amino]propyl]phen...) Show SMILES C[C@@H](Cc1cccc(OC(=O)N(C)C2CCCCC2)c1)N(C)CC#C |r| Show InChI InChI=1S/C21H30N2O2/c1-5-14-22(3)17(2)15-18-10-9-13-20(16-18)25-21(24)23(4)19-11-7-6-8-12-19/h1,9-10,13,16-17,19H,6-8,11-12,14-15H2,2-4H3/t17-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.10E+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