BDBM50436821 CHEMBL3038149

SMILES: CN1C\C(=C/c2cccc(Cl)c2Cl)C(=O)[C@]2(C1)[C@H]([C@@H]1CCCCN1[C@@]21C(=O)c2cccc3cccc1c23)c1cccc(Cl)c1Cl

InChI Key: InChIKey=DIZCMXPQOXLSEP-OYCZYRLKSA-N

Data: 1 IC50

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Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50436821   

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))	BDBM50436821 (CHEMBL3038149) Show SMILES CN1C\C(=C/c2cccc(Cl)c2Cl)C(=O)[C@]2(C1)[C@H]([C@@H]1CCCCN1[C@@]21C(=O)c2cccc3cccc1c23)c1cccc(Cl)c1Cl |r| Show InChI InChI=1S/C37H30Cl4N2O2/c1-42-19-23(18-22-10-6-14-27(38)32(22)40)34(44)36(20-42)31(25-12-7-15-28(39)33(25)41)29-16-2-3-17-43(29)37(36)26-13-5-9-21-8-4-11-24(30(21)26)35(37)45/h4-15,18,29,31H,2-3,16-17,19-20H2,1H3/b23-18+/t29-,31-,36-,37-/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.42E+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