BDBM50360907 CHEMBL1935142

SMILES: COc1cc2CC3(C(C4CSCN4C33C(=O)Nc4ccccc34)c3ccc(F)cc3)C(=O)c2cc1OC

InChI Key: InChIKey=VWTNSRLJCJUDPP-UHFFFAOYSA-N

Data: 1 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 1 hit for monomerid = 50360907   

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))	BDBM50360907 (CHEMBL1935142) Show SMILES COc1cc2CC3(C(C4CSCN4C33C(=O)Nc4ccccc34)c3ccc(F)cc3)C(=O)c2cc1OC Show InChI InChI=1S/C29H25FN2O4S/c1-35-23-11-17-13-28(26(33)19(17)12-24(23)36-2)25(16-7-9-18(30)10-8-16)22-14-37-15-32(22)29(28)20-5-3-4-6-21(20)31-27(29)34/h3-12,22,25H,13-15H2,1-2H3,(H,31,34)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.12E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universiti Sains Malaysia Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylcholine as substrate measured every sec for 2 mins by Ellman's method				Bioorg Med Chem Lett 22: 508-11 (2011) Article DOI: 10.1016/j.bmcl.2011.10.087 BindingDB Entry DOI: 10.7270/Q21Z44WD
					More data for this Ligand-Target Pair