BDBM10822 3-[2-(prop-2-yn-1-ylamino)propyl]phenyl N-butyl-N-methylcarbamate::Phenethylamine deriv. 52i

SMILES: CCCCN(C)C(=O)Oc1cccc(CC(C)NCC#C)c1

InChI Key: InChIKey=IYWJZKJJGUCNHL-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 = 10822   

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))	BDBM10822 (3-[2-(prop-2-yn-1-ylamino)propyl]phenyl N-butyl-N-...) Show SMILES CCCCN(C)C(=O)Oc1cccc(CC(C)NCC#C)c1 Show InChI InChI=1S/C18H26N2O2/c1-5-7-12-20(4)18(21)22-17-10-8-9-16(14-17)13-15(3)19-11-6-2/h2,8-10,14-15,19H,5,7,11-13H2,1,3-4H3	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	1.22E+4	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))	BDBM10822 (3-[2-(prop-2-yn-1-ylamino)propyl]phenyl N-butyl-N-...) Show SMILES CCCCN(C)C(=O)Oc1cccc(CC(C)NCC#C)c1 Show InChI InChI=1S/C18H26N2O2/c1-5-7-12-20(4)18(21)22-17-10-8-9-16(14-17)13-15(3)19-11-6-2/h2,8-10,14-15,19H,5,7,11-13H2,1,3-4H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	400	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))	BDBM10822 (3-[2-(prop-2-yn-1-ylamino)propyl]phenyl N-butyl-N-...) Show SMILES CCCCN(C)C(=O)Oc1cccc(CC(C)NCC#C)c1 Show InChI InChI=1S/C18H26N2O2/c1-5-7-12-20(4)18(21)22-17-10-8-9-16(14-17)13-15(3)19-11-6-2/h2,8-10,14-15,19H,5,7,11-13H2,1,3-4H3	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.50E+4	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))	BDBM10822 (3-[2-(prop-2-yn-1-ylamino)propyl]phenyl N-butyl-N-...) Show SMILES CCCCN(C)C(=O)Oc1cccc(CC(C)NCC#C)c1 Show InChI InChI=1S/C18H26N2O2/c1-5-7-12-20(4)18(21)22-17-10-8-9-16(14-17)13-15(3)19-11-6-2/h2,8-10,14-15,19H,5,7,11-13H2,1,3-4H3	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.75E+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