BDBM50149951 CHEMBL3771191

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

InChI Key: InChIKey=UDNDTKUXDRZAGR-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 = 50149951   

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))	BDBM50149951 (CHEMBL3771191) Show SMILES C[C@@H](NC(=O)OCC(F)(F)Cl)c1nc2ccc(F)cc2s1 |r| Show InChI InChI=1S/C23H23N3O5S/c1-31-19-12-10-18(11-13-19)23(28)26-15-14-25-22(27)17-8-6-16(7-9-17)20-4-2-3-5-21(20)32(24,29)30/h2-13H,14-15H2,1H3,(H,25,27)(H,26,28)(H2,24,29,30)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.56E+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))	BDBM50149951 (CHEMBL3771191) Show SMILES C[C@@H](NC(=O)OCC(F)(F)Cl)c1nc2ccc(F)cc2s1 |r| Show InChI InChI=1S/C23H23N3O5S/c1-31-19-12-10-18(11-13-19)23(28)26-15-14-25-22(27)17-8-6-16(7-9-17)20-4-2-3-5-21(20)32(24,29)30/h2-13H,14-15H2,1H3,(H,25,27)(H,26,28)(H2,24,29,30)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	8.14E+3	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