BDBM50436804 CHEMBL3038172

SMILES: CN1C\C(=C/c2ccc(Cl)cc2Cl)C(=O)[C@]2(C1)[C@H]([C@@H]1CSCN1[C@@]21C(=O)c2cccc3cccc1c23)c1ccc(Cl)cc1Cl

InChI Key: InChIKey=ALAUUIOZYVXNPY-ONMZLTRRSA-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 = 50436804   

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))	BDBM50436804 (CHEMBL3038172) Show SMILES CN1C\C(=C/c2ccc(Cl)cc2Cl)C(=O)[C@]2(C1)[C@H]([C@@H]1CSCN1[C@@]21C(=O)c2cccc3cccc1c23)c1ccc(Cl)cc1Cl |r| Show InChI InChI=1S/C35H26Cl4N2O2S/c1-40-15-21(12-20-8-9-22(36)13-27(20)38)32(42)34(17-40)31(24-11-10-23(37)14-28(24)39)29-16-44-18-41(29)35(34)26-7-3-5-19-4-2-6-25(30(19)26)33(35)43/h2-14,29,31H,15-18H2,1H3/b21-12+/t29-,31-,34-,35-/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.32E+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