BDBM50436818 CHEMBL3038173

SMILES: CN1C\C(=C/c2ccccc2)C(=O)[C@]2(C1)[C@H]([C@@H]1CSCN1[C@@]21C(=O)c2cccc3cccc1c23)c1ccccc1

InChI Key: InChIKey=JZDQHICPIIMFPG-DULVZOJKSA-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 = 50436818   

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))	BDBM50436818 (CHEMBL3038173) Show SMILES CN1C\C(=C/c2ccccc2)C(=O)[C@]2(C1)[C@H]([C@@H]1CSCN1[C@@]21C(=O)c2cccc3cccc1c23)c1ccccc1 |r| Show InChI InChI=1S/C35H30N2O2S/c1-36-19-26(18-23-10-4-2-5-11-23)32(38)34(21-36)31(25-12-6-3-7-13-25)29-20-40-22-37(29)35(34)28-17-9-15-24-14-8-16-27(30(24)28)33(35)39/h2-18,29,31H,19-22H2,1H3/b26-18+/t29-,31-,34-,35-/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.65E+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