BDBM50292347 CHEMBL462958::akuammidine

SMILES: COC(=O)C1(O)[C@@H]2Cc3c([nH]c4ccccc34)[C@@H]3C[C@@H]1\C(CN23)=C/C

InChI Key: InChIKey=OKMCUGQBUHYVEP-VZPZRPSTSA-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 = 50292347   

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))	BDBM50292347 (CHEMBL462958 | akuammidine) Show SMILES COC(=O)C1(O)[C@@H]2Cc3c([nH]c4ccccc34)[C@@H]3C[C@@H]1\C(CN23)=C/C |r,TLB:23:20:17.18:6.4,THB:21:22:7.9.8:18.19.4| Show InChI InChI=1S/C20H22N2O3/c1-3-11-10-22-16-9-14(11)20(24,19(23)25-2)17(22)8-13-12-6-4-5-7-15(12)21-18(13)16/h3-7,14,16-17,21,24H,8-10H2,1-2H3/b11-3-/t14-,16+,17+,20?/m1/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	1.88E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of electric eel AChE				J Nat Prod 59: 890-893 (1996) Article DOI: 10.1021/np960070c BindingDB Entry DOI: 10.7270/Q2KH0NBD
					More data for this Ligand-Target Pair