BDBM50360906 CHEMBL1935141

SMILES: COc1cc2CC3(C(C4CSCN4C33C(=O)Nc4ccccc34)c3ccncc3)C(=O)c2cc1OC

InChI Key: InChIKey=OIMWLTSBHXJDGM-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 = 50360906   

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))	BDBM50360906 (CHEMBL1935141) Show SMILES COc1cc2CC3(C(C4CSCN4C33C(=O)Nc4ccccc34)c3ccncc3)C(=O)c2cc1OC Show InChI InChI=1S/C28H25N3O4S/c1-34-22-11-17-13-27(25(32)18(17)12-23(22)35-2)24(16-7-9-29-10-8-16)21-14-36-15-31(21)28(27)19-5-3-4-6-20(19)30-26(28)33/h3-12,21,24H,13-15H2,1-2H3,(H,30,33)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	480	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