BDBM50436811 CHEMBL3038165

SMILES: CN1C\C(=C/c2ccccc2Cl)C(=O)[C@]2(C1)[C@H]([C@@H]1CSCN1[C@@]21C(=O)c2cccc3cccc1c23)c1ccccc1Cl

InChI Key: InChIKey=SVYRCTKZVBGWAN-DWUZRUCUSA-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 = 50436811   

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))	BDBM50436811 (CHEMBL3038165) Show SMILES CN1C\C(=C/c2ccccc2Cl)C(=O)[C@]2(C1)[C@H]([C@@H]1CSCN1[C@@]21C(=O)c2cccc3cccc1c23)c1ccccc1Cl |r| Show InChI InChI=1S/C35H28Cl2N2O2S/c1-38-17-23(16-22-8-2-4-14-27(22)36)32(40)34(19-38)31(24-11-3-5-15-28(24)37)29-18-42-20-39(29)35(34)26-13-7-10-21-9-6-12-25(30(21)26)33(35)41/h2-16,29,31H,17-20H2,1H3/b23-16+/t29-,31-,34-,35-/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.22E+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