BDBM9397 CHEMBL59583::N-[2-(1-benzylpiperidin-4-yl)ethyl]-4-(phenylmethane)sulfonylbenzamide hydrochloride::Piperidine Derivative 3m

SMILES: O=C(NCCC1CCN(Cc2ccccc2)CC1)c1ccc(cc1)S(=O)(=O)Cc1ccccc1

InChI Key: InChIKey=MIWBNDJPFOYQKB-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 9397   

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 (Mus musculus (mouse))	BDBM9397 (CHEMBL59583 | N-[2-(1-benzylpiperidin-4-yl)ethyl]-...) Show SMILES O=C(NCCC1CCN(Cc2ccccc2)CC1)c1ccc(cc1)S(=O)(=O)Cc1ccccc1 Show InChI InChI=1S/C28H32N2O3S/c31-28(26-11-13-27(14-12-26)34(32,33)22-25-9-5-2-6-10-25)29-18-15-23-16-19-30(20-17-23)21-24-7-3-1-4-8-24/h1-14,23H,15-22H2,(H,29,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	29.0	n/a	n/a	n/a	n/a	n/a	n/a
University of Missouri-St. Louis Curated by ChEMBL					Assay Description Inhibition against Acetylcholinesterase (AChE)				J Med Chem 39: 380-7 (1996) Article DOI: 10.1021/jm950704x BindingDB Entry DOI: 10.7270/Q25D8T1Q
					More data for this Ligand-Target Pair
Acetylcholinesterase (Mus musculus (mouse))	BDBM9397 (CHEMBL59583 | N-[2-(1-benzylpiperidin-4-yl)ethyl]-...) Show SMILES O=C(NCCC1CCN(Cc2ccccc2)CC1)c1ccc(cc1)S(=O)(=O)Cc1ccccc1 Show InChI InChI=1S/C28H32N2O3S/c31-28(26-11-13-27(14-12-26)34(32,33)22-25-9-5-2-6-10-25)29-18-15-23-16-19-30(20-17-23)21-24-7-3-1-4-8-24/h1-14,23H,15-22H2,(H,29,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	29	n/a	n/a	n/a	n/a	7.4	25
Tsukuba Research Laboratories					Assay Description The cholinesterase assays were performed using colorimetric method reported by Ellman. The amount of a yellow substance formed after incubation was d...				J Med Chem 33: 1880-7 (1990) Article DOI: 10.1021/jm00169a008 BindingDB Entry DOI: 10.7270/Q20Z71H2
					More data for this Ligand-Target Pair