BDBM50068334 CHEMBL3402299

SMILES: Oc1ccc(CN2CCC(CC2)NCCCCCCCCN2C(=O)c3ccccc3C2=O)cc1

InChI Key: InChIKey=JCIZQGGVQLJNSL-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 = 50068334   

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))	BDBM50068334 (CHEMBL3402299) Show SMILES Oc1ccc(CN2CCC(CC2)NCCCCCCCCN2C(=O)c3ccccc3C2=O)cc1 Show InChI InChI=1S/C28H37N3O3/c32-24-13-11-22(12-14-24)21-30-19-15-23(16-20-30)29-17-7-3-1-2-4-8-18-31-27(33)25-9-5-6-10-26(25)28(31)34/h5-6,9-14,23,29,32H,1-4,7-8,15-21H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	810	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Curated by ChEMBL					Assay Description Inhibition of horse serum BChE using butyrylthiocholine iodide as substrate preincubated for 5 mins by Ellman method				Bioorg Med Chem 23: 2445-57 (2015) Article DOI: 10.1016/j.bmc.2015.03.051 BindingDB Entry DOI: 10.7270/Q2CZ38VB
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50068334 (CHEMBL3402299) Show SMILES Oc1ccc(CN2CCC(CC2)NCCCCCCCCN2C(=O)c3ccccc3C2=O)cc1 Show InChI InChI=1S/C28H37N3O3/c32-24-13-11-22(12-14-24)21-30-19-15-23(16-20-30)29-17-7-3-1-2-4-8-18-31-27(33)25-9-5-6-10-26(25)28(31)34/h5-6,9-14,23,29,32H,1-4,7-8,15-21H2	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.35E+4	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 5 mins by Ellman method				Bioorg Med Chem 23: 2445-57 (2015) Article DOI: 10.1016/j.bmc.2015.03.051 BindingDB Entry DOI: 10.7270/Q2CZ38VB
					More data for this Ligand-Target Pair