BDBM50292341 CHEMBL508920::tubotaiwine

SMILES: CC[C@@H]1[C@H]2N3CC[C@@]22C(=Nc4ccccc24)C([C@H]1CC3)C(=O)OC

InChI Key: InChIKey=WKSNGSPNQSMRBC-DNFKPEMPSA-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 = 50292341   

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))	BDBM50292341 (CHEMBL508920 | tubotaiwine) Show SMILES CC[C@@H]1[C@H]2N3CC[C@@]22C(=Nc4ccccc24)C([C@H]1CC3)C(=O)OC |r,c:9,THB:5:4:2:7.8.16| Show InChI InChI=1S/C20H24N2O2/c1-3-12-13-8-10-22-11-9-20(18(12)22)14-6-4-5-7-15(14)21-17(20)16(13)19(23)24-2/h4-7,12-13,16,18H,3,8-11H2,1-2H3/t12-,13-,16?,18+,20+/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	1.08E+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