BDBM50298429 1-(4-nitro benzene)-sulfonyl-cis-2,6-dimethylpiperidine::CHEMBL574487

SMILES: C[C@H]1CCC[C@@H](C)N1S(=O)(=O)c1ccc(cc1)[N+]([O-])=O

InChI Key: InChIKey=VINZAEQAZWVGHS-PHIMTYICSA-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 = 50298429   

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 (Rattus norvegicus (rat))	BDBM50298429 (1-(4-nitro benzene)-sulfonyl-cis-2,6-dimethylpiper...) Show SMILES C[C@H]1CCC[C@@H](C)N1S(=O)(=O)c1ccc(cc1)[N+]([O-])=O |r| Show InChI InChI=1S/C13H18N2O4S/c1-10-4-3-5-11(2)14(10)20(18,19)13-8-6-12(7-9-13)15(16)17/h6-11H,3-5H2,1-2H3/t10-,11+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Mysore Curated by ChEMBL					Assay Description Inhibition of Wistar rat brain homogenate AChE by Ellman's assay				Eur J Med Chem 44: 4057-62 (2009) Article DOI: 10.1016/j.ejmech.2009.04.042 BindingDB Entry DOI: 10.7270/Q2MK6CZF
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50298429 (1-(4-nitro benzene)-sulfonyl-cis-2,6-dimethylpiper...) Show SMILES C[C@H]1CCC[C@@H](C)N1S(=O)(=O)c1ccc(cc1)[N+]([O-])=O |r| Show InChI InChI=1S/C13H18N2O4S/c1-10-4-3-5-11(2)14(10)20(18,19)13-8-6-12(7-9-13)15(16)17/h6-11H,3-5H2,1-2H3/t10-,11+	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.21E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Mysore Curated by ChEMBL					Assay Description Inhibition of electric eel AChE by Ellman's method				Eur J Med Chem 44: 4057-62 (2009) Article DOI: 10.1016/j.ejmech.2009.04.042 BindingDB Entry DOI: 10.7270/Q2MK6CZF
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50298429 (1-(4-nitro benzene)-sulfonyl-cis-2,6-dimethylpiper...) Show SMILES C[C@H]1CCC[C@@H](C)N1S(=O)(=O)c1ccc(cc1)[N+]([O-])=O |r| Show InChI InChI=1S/C13H18N2O4S/c1-10-4-3-5-11(2)14(10)20(18,19)13-8-6-12(7-9-13)15(16)17/h6-11H,3-5H2,1-2H3/t10-,11+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.15E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Mysore Curated by ChEMBL					Assay Description Inhibition of human serum AChE by Ellman's assay				Eur J Med Chem 44: 4057-62 (2009) Article DOI: 10.1016/j.ejmech.2009.04.042 BindingDB Entry DOI: 10.7270/Q2MK6CZF
					More data for this Ligand-Target Pair