BDBM50068306 CHEMBL3402304

SMILES: C(CCNC1CCN(Cc2ccccc2)CC1)CCn1ccc2ccccc12

InChI Key: InChIKey=IVHLTIDBEQJESR-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 = 50068306   

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))	BDBM50068306 (CHEMBL3402304) Show SMILES C(CCNC1CCN(Cc2ccccc2)CC1)CCn1ccc2ccccc12 Show InChI InChI=1S/C25H33N3/c1-3-9-22(10-4-1)21-27-18-14-24(15-19-27)26-16-7-2-8-17-28-20-13-23-11-5-6-12-25(23)28/h1,3-6,9-13,20,24,26H,2,7-8,14-19,21H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.83E+3	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))	BDBM50068306 (CHEMBL3402304) Show SMILES C(CCNC1CCN(Cc2ccccc2)CC1)CCn1ccc2ccccc12 Show InChI InChI=1S/C25H33N3/c1-3-9-22(10-4-1)21-27-18-14-24(15-19-27)26-16-7-2-8-17-28-20-13-23-11-5-6-12-25(23)28/h1,3-6,9-13,20,24,26H,2,7-8,14-19,21H2	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	20	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