BDBM50068350 CHEMBL3402303

SMILES: C(CNC1CCN(Cc2ccccc2)CC1)Cn1ccc2ccccc12

InChI Key: InChIKey=WTLUCPJUIZKXNV-UHFFFAOYSA-N

Data: 1 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 1 hit for monomerid = 50068350   

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))	BDBM50068350 (CHEMBL3402303) Show SMILES C(CNC1CCN(Cc2ccccc2)CC1)Cn1ccc2ccccc12 Show InChI InChI=1S/C23H29N3/c1-2-7-20(8-3-1)19-25-16-12-22(13-17-25)24-14-6-15-26-18-11-21-9-4-5-10-23(21)26/h1-5,7-11,18,22,24H,6,12-17,19H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	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