null

SMILES: CN(C)Cc1ccc(CSCCNc2nnc(-c3ccccc3)c(-c3ccccc3)c2[N+]([O-])=O)o1

InChI Key: InChIKey=WUSIWPKVWUINMQ-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50199163   

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
Cholinesterase (Equus caballus (Horse))	BDBM50199163 (CHEMBL3952735) Show SMILES CN(C)Cc1ccc(CSCCNc2nnc(-c3ccccc3)c(-c3ccccc3)c2[N+]([O-])=O)o1 Show InChI InChI=1S/C26H27N5O3S/c1-30(2)17-21-13-14-22(34-21)18-35-16-15-27-26-25(31(32)33)23(19-9-5-3-6-10-19)24(28-29-26)20-11-7-4-8-12-20/h3-14H,15-18H2,1-2H3,(H,27,29)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	7.05E+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
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50199163 (CHEMBL3952735) Show SMILES CN(C)Cc1ccc(CSCCNc2nnc(-c3ccccc3)c(-c3ccccc3)c2[N+]([O-])=O)o1 Show InChI InChI=1S/C26H27N5O3S/c1-30(2)17-21-13-14-22(34-21)18-35-16-15-27-26-25(31(32)33)23(19-9-5-3-6-10-19)24(28-29-26)20-11-7-4-8-12-20/h3-14H,15-18H2,1-2H3,(H,27,29)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	190	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