BDBM50436812 CHEMBL3038164

SMILES: CN1C\C(=C/c2ccc(cc2)[N+]([O-])=O)C(=O)[C@]2(C1)[C@H]([C@@H]1CSCN1[C@@]21C(=O)c2cccc3cccc1c23)c1ccc(cc1)[N+]([O-])=O

InChI Key: InChIKey=QJBBEFDXLWDGBH-IWVNHVMQSA-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 = 50436812   

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))	BDBM50436812 (CHEMBL3038164) Show SMILES CN1C\C(=C/c2ccc(cc2)[N+]([O-])=O)C(=O)[C@]2(C1)[C@H]([C@@H]1CSCN1[C@@]21C(=O)c2cccc3cccc1c23)c1ccc(cc1)[N+]([O-])=O |r| Show InChI InChI=1S/C35H28N4O6S/c1-36-17-24(16-21-8-12-25(13-9-21)38(42)43)32(40)34(19-36)31(23-10-14-26(15-11-23)39(44)45)29-18-46-20-37(29)35(34)28-7-3-5-22-4-2-6-27(30(22)28)33(35)41/h2-16,29,31H,17-20H2,1H3/b24-16+/t29-,31-,34-,35-/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.56E+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