BDBM50149950 CHEMBL3770572

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

InChI Key: InChIKey=YLKKITNLIQQRQD-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 = 50149950   

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))	BDBM50149950 (CHEMBL3770572) Show SMILES C[C@@H](NC(=O)OCC(Cl)(Cl)Cl)c1nc2ccc(F)cc2s1 |r| Show InChI InChI=1S/C22H20ClN3O4S/c23-18-11-9-17(10-12-18)22(28)26-14-13-25-21(27)16-7-5-15(6-8-16)19-3-1-2-4-20(19)31(24,29)30/h1-12H,13-14H2,(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	8.31E+3	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))	BDBM50149950 (CHEMBL3770572) Show SMILES C[C@@H](NC(=O)OCC(Cl)(Cl)Cl)c1nc2ccc(F)cc2s1 |r| Show InChI InChI=1S/C22H20ClN3O4S/c23-18-11-9-17(10-12-18)22(28)26-14-13-25-21(27)16-7-5-15(6-8-16)19-3-1-2-4-20(19)31(24,29)30/h1-12H,13-14H2,(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	9.22E+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