BDBM50040626 1-[2-(1-Benzyl-piperidin-4-yl)-ethyl]-3-(5-nitro-pyridin-2-yl)-thiourea::CHEMBL158860

SMILES: [O-][N+](=O)c1ccc([N-]C(=[SH+])NCCC2CCN(Cc3ccccc3)CC2)nc1

InChI Key: InChIKey=XDLSKJRQHSJRPZ-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 = 50040626   

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
Acetylcholinesterase (Rattus norvegicus (rat))	BDBM50040626 (1-[2-(1-Benzyl-piperidin-4-yl)-ethyl]-3-(5-nitro-p...) Show SMILES [O-][N+](=O)c1ccc([N-]C(=[SH+])NCCC2CCN(Cc3ccccc3)CC2)nc1 Show InChI InChI=1S/C20H25N5O2S/c26-25(27)18-6-7-19(22-14-18)23-20(28)21-11-8-16-9-12-24(13-10-16)15-17-4-2-1-3-5-17/h1-7,14,16H,8-13,15H2,(H2,21,22,23,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	2.60	n/a	n/a	n/a	n/a	n/a	n/a
Centre de Recherche Pierre Fabre Médicament Curated by ChEMBL					Assay Description Inhibition against acetylcholinesterase (AChE)				J Med Chem 37: 689-95 (1994) BindingDB Entry DOI: 10.7270/Q2N29W0C
					More data for this Ligand-Target Pair