BDBM50149958 CHEMBL3770152

SMILES: CCCOC(=O)N[C@H](C)c1nc2ccc(F)cc2s1

InChI Key: InChIKey=JUXBZIWRJRQFTA-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 = 50149958   

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))	BDBM50149958 (CHEMBL3770152) Show SMILES CCCOC(=O)N[C@H](C)c1nc2ccc(F)cc2s1 |r| Show InChI InChI=1S/C23H21ClN4O5S2/c24-18-9-10-20-17(13-18)14-22(28-20)35(32,33)27-12-11-26-23(29)16-7-5-15(6-8-16)19-3-1-2-4-21(19)34(25,30)31/h1-10,13-14,27-28H,11-12H2,(H,26,29)(H2,25,30,31)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	1.31E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Pardubice Curated by ChEMBL					Assay Description Inhibition of electric eel AChE by spectrophotometric-based Ellman's method				Bioorg Med Chem 24: 1560-72 (2016) BindingDB Entry DOI: 10.7270/Q2XW4MPW
					More data for this Ligand-Target Pair
Butyrylcholinesterase (BuChE) (Equus caballus (Horse))	BDBM50149958 (CHEMBL3770152) Show SMILES CCCOC(=O)N[C@H](C)c1nc2ccc(F)cc2s1 |r| Show InChI InChI=1S/C23H21ClN4O5S2/c24-18-9-10-20-17(13-18)14-22(28-20)35(32,33)27-12-11-26-23(29)16-7-5-15(6-8-16)19-3-1-2-4-21(19)34(25,30)31/h1-10,13-14,27-28H,11-12H2,(H,26,29)(H2,25,30,31)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	3.46E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Pardubice Curated by ChEMBL					Assay Description Inhibition of equine serum BChE by spectrophotometric-based Ellman's method				Bioorg Med Chem 24: 1560-72 (2016) BindingDB Entry DOI: 10.7270/Q2XW4MPW
					More data for this Ligand-Target Pair