BDBM50436827 CHEMBL3038161

SMILES: CN1C\C(=C/c2ccccc2C)C(=O)[C@]2(C1)[C@H]([C@@H]1CCCCN1[C@@]21C(=O)c2cccc3cccc1c23)c1ccccc1C

InChI Key: InChIKey=HGDZQOURAWKDMV-JESSNVPPSA-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 = 50436827   

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))	BDBM50436827 (CHEMBL3038161) Show SMILES CN1C\C(=C/c2ccccc2C)C(=O)[C@]2(C1)[C@H]([C@@H]1CCCCN1[C@@]21C(=O)c2cccc3cccc1c23)c1ccccc1C |r| Show InChI InChI=1S/C39H38N2O2/c1-25-12-4-6-14-28(25)22-29-23-40(3)24-38(36(29)42)35(30-17-7-5-13-26(30)2)33-20-8-9-21-41(33)39(38)32-19-11-16-27-15-10-18-31(34(27)32)37(39)43/h4-7,10-19,22,33,35H,8-9,20-21,23-24H2,1-3H3/b29-22+/t33-,35-,38-,39-/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.86E+3	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