BDBM50149949 CHEMBL3769638

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

InChI Key: InChIKey=ZRHQOVPMWCTAEX-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 = 50149949   

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))	BDBM50149949 (CHEMBL3769638) Show SMILES C[C@@H](NC(=O)OCCCCl)c1nc2ccc(F)cc2s1 |r| Show InChI InChI=1S/C22H21N3O4S/c23-30(28,29)20-9-5-4-8-19(20)16-10-12-18(13-11-16)22(27)25-15-14-24-21(26)17-6-2-1-3-7-17/h1-13H,14-15H2,(H,24,26)(H,25,27)(H2,23,28,29)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.88E+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))	BDBM50149949 (CHEMBL3769638) Show SMILES C[C@@H](NC(=O)OCCCCl)c1nc2ccc(F)cc2s1 |r| Show InChI InChI=1S/C22H21N3O4S/c23-30(28,29)20-9-5-4-8-19(20)16-10-12-18(13-11-16)22(27)25-15-14-24-21(26)17-6-2-1-3-7-17/h1-13H,14-15H2,(H,24,26)(H,25,27)(H2,23,28,29)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	8.05E+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