BDBM50360912 CHEMBL1935147

SMILES: COc1cc2CC3(C(C4CSCN4C33C(=O)Nc4ccc(Cl)cc34)c3ccc(F)cc3)C(=O)c2cc1OC

InChI Key: InChIKey=MQWRRSNPTMSQIY-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 = 50360912   

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))	BDBM50360912 (CHEMBL1935147) Show SMILES COc1cc2CC3(C(C4CSCN4C33C(=O)Nc4ccc(Cl)cc34)c3ccc(F)cc3)C(=O)c2cc1OC Show InChI InChI=1S/C29H24ClFN2O4S/c1-36-23-9-16-12-28(26(34)19(16)11-24(23)37-2)25(15-3-6-18(31)7-4-15)22-13-38-14-33(22)29(28)20-10-17(30)5-8-21(20)32-27(29)35/h3-11,22,25H,12-14H2,1-2H3,(H,32,35)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.56E+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