BDBM50436824 CHEMBL3038146

SMILES: CN1C\C(=C/c2ccccc2Br)C(=O)[C@]2(C1)[C@H]([C@@H]1CCCCN1[C@@]21C(=O)c2cccc3cccc1c23)c1ccccc1Br

InChI Key: InChIKey=WQELFSNBISBVGR-RVPFXGPFSA-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 = 50436824   

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))	BDBM50436824 (CHEMBL3038146) Show SMILES CN1C\C(=C/c2ccccc2Br)C(=O)[C@]2(C1)[C@H]([C@@H]1CCCCN1[C@@]21C(=O)c2cccc3cccc1c23)c1ccccc1Br |r| Show InChI InChI=1S/C37H32Br2N2O2/c1-40-21-25(20-24-10-2-4-16-29(24)38)34(42)36(22-40)33(26-13-3-5-17-30(26)39)31-18-6-7-19-41(31)37(36)28-15-9-12-23-11-8-14-27(32(23)28)35(37)43/h2-5,8-17,20,31,33H,6-7,18-19,21-22H2,1H3/b25-20+/t31-,33-,36-,37-/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.83E+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