BDBM50436820 CHEMBL3038150

SMILES: CN1C\C(=C/c2ccc(Cl)cc2Cl)C(=O)[C@]2(C1)[C@H]([C@@H]1CCCCN1[C@@]21C(=O)c2cccc3cccc1c23)c1ccc(Cl)cc1Cl

InChI Key: InChIKey=AOSMXMQXMNTPTA-DEULAIJSSA-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 = 50436820   

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))	BDBM50436820 (CHEMBL3038150) Show SMILES CN1C\C(=C/c2ccc(Cl)cc2Cl)C(=O)[C@]2(C1)[C@H]([C@@H]1CCCCN1[C@@]21C(=O)c2cccc3cccc1c23)c1ccc(Cl)cc1Cl |r| Show InChI InChI=1S/C37H30Cl4N2O2/c1-42-19-23(16-22-11-12-24(38)17-29(22)40)34(44)36(20-42)33(26-14-13-25(39)18-30(26)41)31-10-2-3-15-43(31)37(36)28-9-5-7-21-6-4-8-27(32(21)28)35(37)45/h4-9,11-14,16-18,31,33H,2-3,10,15,19-20H2,1H3/b23-16+/t31-,33-,36-,37-/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.73E+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