BDBM50435956 CHEMBL2391490

SMILES: Cc1cc(=O)oc2cc(OCCCCCCN3CCN(CC(=O)Nc4c5CCCCc5nc5ccccc45)CC3)ccc12

InChI Key: InChIKey=VRTZOHZVMJKYNS-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 = 50435956   

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
Butyrylcholinesterase (BuChE) (Equus caballus (Horse))	BDBM50435956 (CHEMBL2391490) Show SMILES Cc1cc(=O)oc2cc(OCCCCCCN3CCN(CC(=O)Nc4c5CCCCc5nc5ccccc45)CC3)ccc12 Show InChI InChI=1S/C35H42N4O4/c1-25-22-34(41)43-32-23-26(14-15-27(25)32)42-21-9-3-2-8-16-38-17-19-39(20-18-38)24-33(40)37-35-28-10-4-6-12-30(28)36-31-13-7-5-11-29(31)35/h4,6,10,12,14-15,22-23H,2-3,5,7-9,11,13,16-21,24H2,1H3,(H,36,37,40)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	99	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of equine serum BChE using S-butyrylthiocholine iodide as substrate preincubated for 6 mins prior to substrate addition measured at 60 to ...				Eur J Med Chem 64: 540-53 (2013) Article DOI: 10.1016/j.ejmech.2013.03.051 BindingDB Entry DOI: 10.7270/Q2H996KW
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50435956 (CHEMBL2391490) Show SMILES Cc1cc(=O)oc2cc(OCCCCCCN3CCN(CC(=O)Nc4c5CCCCc5nc5ccccc45)CC3)ccc12 Show InChI InChI=1S/C35H42N4O4/c1-25-22-34(41)43-32-23-26(14-15-27(25)32)42-21-9-3-2-8-16-38-17-19-39(20-18-38)24-33(40)37-35-28-10-4-6-12-30(28)36-31-13-7-5-11-29(31)35/h4,6,10,12,14-15,22-23H,2-3,5,7-9,11,13,16-21,24H2,1H3,(H,36,37,40)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	398	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 6 mins prior to substrate addition measured at 60 to 180...				Eur J Med Chem 64: 540-53 (2013) Article DOI: 10.1016/j.ejmech.2013.03.051 BindingDB Entry DOI: 10.7270/Q2H996KW
					More data for this Ligand-Target Pair