BDBM50436815 CHEMBL3038176

SMILES: COc1ccc(\C=C2/CN(C)C[C@]3([C@H]([C@@H]4CSCN4[C@@]33C(=O)c4cccc5cccc3c45)c3ccc(OC)cc3)C2=O)cc1

InChI Key: InChIKey=VNJYDYMCWQCWPG-PQVMPVIMSA-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 = 50436815   

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))	BDBM50436815 (CHEMBL3038176) Show SMILES COc1ccc(\C=C2/CN(C)C[C@]3([C@H]([C@@H]4CSCN4[C@@]33C(=O)c4cccc5cccc3c45)c3ccc(OC)cc3)C2=O)cc1 |r| Show InChI InChI=1S/C37H34N2O4S/c1-38-19-26(18-23-10-14-27(42-2)15-11-23)34(40)36(21-38)33(25-12-16-28(43-3)17-13-25)31-20-44-22-39(31)37(36)30-9-5-7-24-6-4-8-29(32(24)30)35(37)41/h4-18,31,33H,19-22H2,1-3H3/b26-18+/t31-,33-,36-,37-/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.23E+4	n/a	n/a	n/a	n/a	n/a	n/a
Madurai Kamaraj University Curated by ChEMBL					Assay Description Inhibition of electric eel AChE after 30 mins by Ellman's method				Eur J Med Chem 65: 240-8 (2013) Article DOI: 10.1016/j.ejmech.2013.04.050 BindingDB Entry DOI: 10.7270/Q23T9JNC
					More data for this Ligand-Target Pair