BDBM50009660 CHEMBL3235217

SMILES: O\N=C(/C#N)C(=O)NCCCNc1c2CCCCc2nc2ccccc12

InChI Key: InChIKey=HSZDEPLXGLXHIX-JJIBRWJFSA-N

Data: 1 KI

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 = 50009660   

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 (Homo sapiens (Human))	BDBM50009660 (CHEMBL3235217) Show SMILES O\N=C(/C#N)C(=O)NCCCNc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C19H21N5O2/c20-12-17(24-26)19(25)22-11-5-10-21-18-13-6-1-3-8-15(13)23-16-9-4-2-7-14(16)18/h1,3,6,8,26H,2,4-5,7,9-11H2,(H,21,23)(H,22,25)/b24-17+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.08E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Southwest Research Institute Curated by ChEMBL					Assay Description Inhibition of human AChE using acetylthiocholine as substrate after 4 hrs by robotic spectrophotometric assay				Bioorg Med Chem Lett 24: 1711-4 (2014) Article DOI: 10.1016/j.bmcl.2014.02.049 BindingDB Entry DOI: 10.7270/Q280545W
					More data for this Ligand-Target Pair