null

SMILES: CC1CCN(CC1)c1nccc(NCCc2ccccc2)n1

InChI Key: InChIKey=JAXXPQUWOTTXGC-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50319977   

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 (Electrophorus electricus (Electric eel))	BDBM50319977 (2-(4-methylpiperidin-1-yl)-N-phenethylpyrimidin-4-...) Show SMILES CC1CCN(CC1)c1nccc(NCCc2ccccc2)n1 Show InChI InChI=1S/C18H24N4/c1-15-9-13-22(14-10-15)18-20-12-8-17(21-18)19-11-7-16-5-3-2-4-6-16/h2-6,8,12,15H,7,9-11,13-14H2,1H3,(H,19,20,21)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Waterloo Curated by ChEMBL					Assay Description Inhibition of electric eel AChE				Bioorg Med Chem Lett 20: 3606-9 (2010) Article DOI: 10.1016/j.bmcl.2010.04.108 BindingDB Entry DOI: 10.7270/Q2GM87GC
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50319977 (2-(4-methylpiperidin-1-yl)-N-phenethylpyrimidin-4-...) Show SMILES CC1CCN(CC1)c1nccc(NCCc2ccccc2)n1 Show InChI InChI=1S/C18H24N4/c1-15-9-13-22(14-10-15)18-20-12-8-17(21-18)19-11-7-16-5-3-2-4-6-16/h2-6,8,12,15H,7,9-11,13-14H2,1H3,(H,19,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Waterloo Curated by ChEMBL					Assay Description Inhibition of human AChE incubated with compounf for 5 mins before addition of substrate acetylthiocholine iodide by Ellman's method				Bioorg Med Chem 19: 2269-81 (2011) Article DOI: 10.1016/j.bmc.2011.02.030 BindingDB Entry DOI: 10.7270/Q2Q240JH
					More data for this Ligand-Target Pair
Carboxylic ester hydrolase (Equus caballus (Horse))	BDBM50319977 (2-(4-methylpiperidin-1-yl)-N-phenethylpyrimidin-4-...) Show SMILES CC1CCN(CC1)c1nccc(NCCc2ccccc2)n1 Show InChI InChI=1S/C18H24N4/c1-15-9-13-22(14-10-15)18-20-12-8-17(21-18)19-11-7-16-5-3-2-4-6-16/h2-6,8,12,15H,7,9-11,13-14H2,1H3,(H,19,20,21)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.77E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Waterloo Curated by ChEMBL					Assay Description Inhibition of equine BChE incubated with compounf for 5 mins before addition of substrate S-butyrylthiocholine iodide by Ellman's method				Bioorg Med Chem 19: 2269-81 (2011) Article DOI: 10.1016/j.bmc.2011.02.030 BindingDB Entry DOI: 10.7270/Q2Q240JH
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50319977 (2-(4-methylpiperidin-1-yl)-N-phenethylpyrimidin-4-...) Show SMILES CC1CCN(CC1)c1nccc(NCCc2ccccc2)n1 Show InChI InChI=1S/C18H24N4/c1-15-9-13-22(14-10-15)18-20-12-8-17(21-18)19-11-7-16-5-3-2-4-6-16/h2-6,8,12,15H,7,9-11,13-14H2,1H3,(H,19,20,21)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.77E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Waterloo Curated by ChEMBL					Assay Description Inhibition of equine serum BuChE				Bioorg Med Chem Lett 20: 3606-9 (2010) Article DOI: 10.1016/j.bmcl.2010.04.108 BindingDB Entry DOI: 10.7270/Q2GM87GC
					More data for this Ligand-Target Pair