BDBM50004041 2-(2-(1-(4-chlorobenzyl)piperidin-4-yl)ethyl)-5-nitroisoindoline-1,3-dione::2-{2-[1-(4-Chloro-benzyl)-piperidin-4-yl]-ethyl}-5-nitro-isoindole-1,3-dione::CHEMBL123909

SMILES: [O-][N+](=O)c1ccc2C(=O)N(CCC3CCN(Cc4ccc(Cl)cc4)CC3)C(=O)c2c1

InChI Key: InChIKey=CLCFZEJHDXQFNI-UHFFFAOYSA-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 = 50004041   

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))	BDBM50004041 (2-(2-(1-(4-chlorobenzyl)piperidin-4-yl)ethyl)-5-ni...) Show SMILES [O-][N+](=O)c1ccc2C(=O)N(CCC3CCN(Cc4ccc(Cl)cc4)CC3)C(=O)c2c1 Show InChI InChI=1S/C22H22ClN3O4/c23-17-3-1-16(2-4-17)14-24-10-7-15(8-11-24)9-12-25-21(27)19-6-5-18(26(29)30)13-20(19)22(25)28/h1-6,13,15H,7-12,14H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	240	n/a	n/a	n/a	n/a	n/a	n/a
Eisai Co., Ltd. Curated by ChEMBL					Assay Description In vitro inhibitory concentration against acetylcholinesterase (AChE) obtained from mouse brain homogenate.				J Med Chem 35: 4542-8 (1993) BindingDB Entry DOI: 10.7270/Q25M64P8
					More data for this Ligand-Target Pair
Acetylcholinesterase (Mus musculus (mouse))	BDBM50004041 (2-(2-(1-(4-chlorobenzyl)piperidin-4-yl)ethyl)-5-ni...) Show SMILES [O-][N+](=O)c1ccc2C(=O)N(CCC3CCN(Cc4ccc(Cl)cc4)CC3)C(=O)c2c1 Show InChI InChI=1S/C22H22ClN3O4/c23-17-3-1-16(2-4-17)14-24-10-7-15(8-11-24)9-12-25-21(27)19-6-5-18(26(29)30)13-20(19)22(25)28/h1-6,13,15H,7-12,14H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL 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
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 (Homo sapiens (Human))	BDBM50004041 (2-(2-(1-(4-chlorobenzyl)piperidin-4-yl)ethyl)-5-ni...) Show SMILES [O-][N+](=O)c1ccc2C(=O)N(CCC3CCN(Cc4ccc(Cl)cc4)CC3)C(=O)c2c1 Show InChI InChI=1S/C22H22ClN3O4/c23-17-3-1-16(2-4-17)14-24-10-7-15(8-11-24)9-12-25-21(27)19-6-5-18(26(29)30)13-20(19)22(25)28/h1-6,13,15H,7-12,14H2	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	240	n/a	n/a	n/a	n/a	n/a	n/a
Sichuan University Curated by ChEMBL					Assay Description Inhibition of AChE				Eur J Med Chem 45: 1167-72 (2010) Article DOI: 10.1016/j.ejmech.2009.12.038 BindingDB Entry DOI: 10.7270/Q25H7GFM
					More data for this Ligand-Target Pair