BDBM152457 1-(3-Fluorophenyl)-3-(4-(8-methoxy-2-oxo-2H-chromen-3-yl)thiazol-2-yl)urea (e21)

SMILES: COc1cccc2cc(-c3csc(NC(=O)Nc4cccc(F)c4)n3)c(=O)oc12

InChI Key: InChIKey=PTWXHCRNJYIGEK-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 = 152457   

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 (BChE) (Equus caballus (Horse))	BDBM152457 (1-(3-Fluorophenyl)-3-(4-(8-methoxy-2-oxo-2H-chrome...) Show SMILES COc1cccc2cc(-c3csc(NC(=O)Nc4cccc(F)c4)n3)c(=O)oc12 Show InChI InChI=1S/C20H14FN3O4S/c1-27-16-7-2-4-11-8-14(18(25)28-17(11)16)15-10-29-20(23-15)24-19(26)22-13-6-3-5-12(21)9-13/h2-10H,1H3,(H2,22,23,24,26)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.10E+5	n/a	n/a	n/a	n/a	8.0	n/a
Bezmialem Vakif University					Assay Description The substrates of the reaction were acetylthiocholine iodide and butyrylthiocholine iodide. 5,5'-dithio-bis(2-nitrobenzoic) acid (DTNB) was used ...				Bioorg Chem 59: 80-90 (2015) Article DOI: 10.1016/j.bioorg.2015.02.002 BindingDB Entry DOI: 10.7270/Q2668BXT
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM152457 (1-(3-Fluorophenyl)-3-(4-(8-methoxy-2-oxo-2H-chrome...) Show SMILES COc1cccc2cc(-c3csc(NC(=O)Nc4cccc(F)c4)n3)c(=O)oc12 Show InChI InChI=1S/C20H14FN3O4S/c1-27-16-7-2-4-11-8-14(18(25)28-17(11)16)15-10-29-20(23-15)24-19(26)22-13-6-3-5-12(21)9-13/h2-10H,1H3,(H2,22,23,24,26)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.70E+4	n/a	n/a	n/a	n/a	8.0	n/a
Bezmialem Vakif University					Assay Description The substrates of the reaction were acetylthiocholine iodide and butyrylthiocholine iodide. 5,5'-dithio-bis(2-nitrobenzoic) acid (DTNB) was used ...				Bioorg Chem 59: 80-90 (2015) Article DOI: 10.1016/j.bioorg.2015.02.002 BindingDB Entry DOI: 10.7270/Q2668BXT
					More data for this Ligand-Target Pair