BDBM50439086 CHEMBL2417675

SMILES: Fc1ccc(C=C2CN(CCN3CCOCC3)CC3C(NC(=S)N=C23)c2ccc(F)cc2)cc1

InChI Key: InChIKey=LKIBMUXHXSBMPO-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50439086   

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))	BDBM50439086 (CHEMBL2417675) Show SMILES Fc1ccc(C=C2CN(CCN3CCOCC3)CC3C(NC(=S)N=C23)c2ccc(F)cc2)cc1 |w:5.4,t:24| Show InChI InChI=1S/C26H28F2N4OS/c27-21-5-1-18(2-6-21)15-20-16-32(10-9-31-11-13-33-14-12-31)17-23-24(29-26(34)30-25(20)23)19-3-7-22(28)8-4-19/h1-8,15,23-24H,9-14,16-17H2,(H,29,34)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.72E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universiti Sains Malaysia Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 15 mins followed by substrate addition measured after 30...				Eur J Med Chem 67: 221-9 (2013) Article DOI: 10.1016/j.ejmech.2013.06.054 BindingDB Entry DOI: 10.7270/Q2VH5Q78
					More data for this Ligand-Target Pair
Butyrylcholinesterase (BuChE) (Equus caballus (Horse))	BDBM50439086 (CHEMBL2417675) Show SMILES Fc1ccc(C=C2CN(CCN3CCOCC3)CC3C(NC(=S)N=C23)c2ccc(F)cc2)cc1 |w:5.4,t:24| Show InChI InChI=1S/C26H28F2N4OS/c27-21-5-1-18(2-6-21)15-20-16-32(10-9-31-11-13-33-14-12-31)17-23-24(29-26(34)30-25(20)23)19-3-7-22(28)8-4-19/h1-8,15,23-24H,9-14,16-17H2,(H,29,34)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.41E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universiti Sains Malaysia Curated by ChEMBL					Assay Description Inhibition of horse serum BChE using S-butyrylthiocholine chloride as substrate preincubated for 15 mins followed by substrate addition measured afte...				Eur J Med Chem 67: 221-9 (2013) Article DOI: 10.1016/j.ejmech.2013.06.054 BindingDB Entry DOI: 10.7270/Q2VH5Q78
					More data for this Ligand-Target Pair