BDBM50149956 CHEMBL3770401

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

InChI Key: InChIKey=ZRQJKONBYKQALT-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 = 50149956   

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))	BDBM50149956 (CHEMBL3770401) Show SMILES COC(=O)N[C@H](C)c1nc2ccc(F)cc2s1 |r| Show InChI InChI=1S/C27H29BrN6O5S/c28-19-9-12-24(31-16-19)34-25(35)14-22(33-26(36)18-4-3-13-30-15-18)27(37)32-20-10-7-17(8-11-20)21-5-1-2-6-23(21)40(29,38)39/h1-2,5-12,16,18,22,30H,3-4,13-15H2,(H,32,37)(H,33,36)(H2,29,38,39)(H,31,34,35)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.36E+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))	BDBM50149956 (CHEMBL3770401) Show SMILES COC(=O)N[C@H](C)c1nc2ccc(F)cc2s1 |r| Show InChI InChI=1S/C27H29BrN6O5S/c28-19-9-12-24(31-16-19)34-25(35)14-22(33-26(36)18-4-3-13-30-15-18)27(37)32-20-10-7-17(8-11-20)21-5-1-2-6-23(21)40(29,38)39/h1-2,5-12,16,18,22,30H,3-4,13-15H2,(H,32,37)(H,33,36)(H2,29,38,39)(H,31,34,35)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	9.03E+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