BDBM50436819 CHEMBL3038151

SMILES: CN1C\C(=C/c2cccc3ccccc23)C(=O)[C@]2(C1)[C@H]([C@@H]1CCCCN1[C@@]21C(=O)c2cccc3cccc1c23)c1cccc2ccccc12

InChI Key: InChIKey=MLXQRLPYDUPYCL-UCFFMQAZSA-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 = 50436819   

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))	BDBM50436819 (CHEMBL3038151) Show SMILES CN1C\C(=C/c2cccc3ccccc23)C(=O)[C@]2(C1)[C@H]([C@@H]1CCCCN1[C@@]21C(=O)c2cccc3cccc1c23)c1cccc2ccccc12 |r| Show InChI InChI=1S/C45H38N2O2/c1-46-27-33(26-32-18-8-14-29-12-2-4-19-34(29)32)42(48)44(28-46)41(36-21-9-15-30-13-3-5-20-35(30)36)39-24-6-7-25-47(39)45(44)38-23-11-17-31-16-10-22-37(40(31)38)43(45)49/h2-5,8-23,26,39,41H,6-7,24-25,27-28H2,1H3/b33-26+/t39-,41-,44-,45-/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.34E+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