BDBM50439093 CHEMBL2417668

SMILES: Cc1ccccc1C=C1CN(CCN2CCOCC2)CC2C(NC(=S)N=C12)c1ccccc1C

InChI Key: InChIKey=HKQOTSGLCBVUJL-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 = 50439093   

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))	BDBM50439093 (CHEMBL2417668) Show SMILES Cc1ccccc1C=C1CN(CCN2CCOCC2)CC2C(NC(=S)N=C12)c1ccccc1C |w:7.7,t:27| Show InChI InChI=1S/C28H34N4OS/c1-20-7-3-5-9-22(20)17-23-18-32(12-11-31-13-15-33-16-14-31)19-25-26(23)29-28(34)30-27(25)24-10-6-4-8-21(24)2/h3-10,17,25,27H,11-16,18-19H2,1-2H3,(H,30,34)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.15E+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))	BDBM50439093 (CHEMBL2417668) Show SMILES Cc1ccccc1C=C1CN(CCN2CCOCC2)CC2C(NC(=S)N=C12)c1ccccc1C |w:7.7,t:27| Show InChI InChI=1S/C28H34N4OS/c1-20-7-3-5-9-22(20)17-23-18-32(12-11-31-13-15-33-16-14-31)19-25-26(23)29-28(34)30-27(25)24-10-6-4-8-21(24)2/h3-10,17,25,27H,11-16,18-19H2,1-2H3,(H,30,34)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.89E+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