BDBM50149948 CHEMBL3770816

SMILES: C[C@@H](NC(=O)OCCBr)c1nc2ccc(F)cc2s1

InChI Key: InChIKey=LQTXWCFYJKNNIH-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 = 50149948   

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
Butyrylcholinesterase (BuChE) (Equus caballus (Horse))	BDBM50149948 (CHEMBL3770816) Show SMILES C[C@@H](NC(=O)OCCBr)c1nc2ccc(F)cc2s1 |r| Show InChI InChI=1S/C21H19BrN4O4S/c22-15-7-10-19(24-13-15)26-21(28)12-11-20(27)25-16-8-5-14(6-9-16)17-3-1-2-4-18(17)31(23,29)30/h1-10,13H,11-12H2,(H,25,27)(H2,23,29,30)(H,24,26,28)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.84E+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
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50149948 (CHEMBL3770816) Show SMILES C[C@@H](NC(=O)OCCBr)c1nc2ccc(F)cc2s1 |r| Show InChI InChI=1S/C21H19BrN4O4S/c22-15-7-10-19(24-13-15)26-21(28)12-11-20(27)25-16-8-5-14(6-9-16)17-3-1-2-4-18(17)31(23,29)30/h1-10,13H,11-12H2,(H,25,27)(H2,23,29,30)(H,24,26,28)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.14E+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