BDBM50199147 CHEMBL3963904

SMILES: CN(C)Cc1ccc(CSCCN2C(=O)c3cccc4cc(cc(C2=O)c34)[N+]([O-])=O)o1

InChI Key: InChIKey=CCHWVUBITQTPDB-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 = 50199147   

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))	BDBM50199147 (CHEMBL3963904) Show SMILES CN(C)Cc1ccc(CSCCN2C(=O)c3cccc4cc(cc(C2=O)c34)[N+]([O-])=O)o1 Show InChI InChI=1S/C22H21N3O5S/c1-23(2)12-16-6-7-17(30-16)13-31-9-8-24-21(26)18-5-3-4-14-10-15(25(28)29)11-19(20(14)18)22(24)27/h3-7,10-11H,8-9,12-13H2,1-2H3	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	150	n/a	n/a	n/a	n/a	n/a	n/a
University of South Carolina Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine as substrate preincubated for 8 mins followed by substrate addition by Ellman's method				Bioorg Med Chem Lett 26: 5573-5579 (2016) Article DOI: 10.1016/j.bmcl.2016.09.072 BindingDB Entry DOI: 10.7270/Q22F7QDF
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50199147 (CHEMBL3963904) Show SMILES CN(C)Cc1ccc(CSCCN2C(=O)c3cccc4cc(cc(C2=O)c34)[N+]([O-])=O)o1 Show InChI InChI=1S/C22H21N3O5S/c1-23(2)12-16-6-7-17(30-16)13-31-9-8-24-21(26)18-5-3-4-14-10-15(25(28)29)11-19(20(14)18)22(24)27/h3-7,10-11H,8-9,12-13H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	8.01E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of South Carolina Curated by ChEMBL					Assay Description Inhibition of equine serum BuChE using butyrylthiocholine as substrate preincubated for 8 mins followed by substrate addition by Ellman's method				Bioorg Med Chem Lett 26: 5573-5579 (2016) Article DOI: 10.1016/j.bmcl.2016.09.072 BindingDB Entry DOI: 10.7270/Q22F7QDF
					More data for this Ligand-Target Pair