BDBM50447031 CHEMBL3116278

SMILES: C(Oc1nn(CC2CCCCC2)c2ccccc12)C1CCCCC1

InChI Key: InChIKey=AVHMZIMFLFDTIN-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 = 50447031   

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))	BDBM50447031 (CHEMBL3116278) Show SMILES C(Oc1nn(CC2CCCCC2)c2ccccc12)C1CCCCC1 Show InChI InChI=1S/C21H30N2O/c1-3-9-17(10-4-1)15-23-20-14-8-7-13-19(20)21(22-23)24-16-18-11-5-2-6-12-18/h7-8,13-14,17-18H,1-6,9-12,15-16H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Qu£mica M£dica (CSIC) Curated by ChEMBL					Assay Description Inhibition of horse serum BuChE using butyrylthiocholine as substrate by Ellman's method				Eur J Med Chem 73: 56-72 (2014) Article DOI: 10.1016/j.ejmech.2013.11.026 BindingDB Entry DOI: 10.7270/Q2474CC8
					More data for this Ligand-Target Pair