null

SMILES: Brc1ccc(CNc2ccnc(NC3CCN(Cc4ccccc4)CC3)n2)cc1

InChI Key: InChIKey=WOAVNWHCIXCOIZ-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50387097   

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))	BDBM50387097 (CHEMBL2047226) Show SMILES Brc1ccc(CNc2ccnc(NC3CCN(Cc4ccccc4)CC3)n2)cc1 Show InChI InChI=1S/C23H26BrN5/c24-20-8-6-18(7-9-20)16-26-22-10-13-25-23(28-22)27-21-11-14-29(15-12-21)17-19-4-2-1-3-5-19/h1-10,13,21H,11-12,14-17H2,(H2,25,26,27,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Waterloo Curated by ChEMBL					Assay Description Inhibition of human AChE using acetylthiocholine iodide as substrate after 5 mins by DTNB method				Bioorg Med Chem Lett 22: 4707-12 (2012) Article DOI: 10.1016/j.bmcl.2012.05.077 BindingDB Entry DOI: 10.7270/Q27S7PSZ
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50387097 (CHEMBL2047226) Show SMILES Brc1ccc(CNc2ccnc(NC3CCN(Cc4ccccc4)CC3)n2)cc1 Show InChI InChI=1S/C23H26BrN5/c24-20-8-6-18(7-9-20)16-26-22-10-13-25-23(28-22)27-21-11-14-29(15-12-21)17-19-4-2-1-3-5-19/h1-10,13,21H,11-12,14-17H2,(H2,25,26,27,28)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Waterloo Curated by ChEMBL					Assay Description Inhibition of equine BuChE using butyrylthiocholine iodide as substrate after 5 mins by DTNB method				Bioorg Med Chem Lett 22: 4707-12 (2012) Article DOI: 10.1016/j.bmcl.2012.05.077 BindingDB Entry DOI: 10.7270/Q27S7PSZ
					More data for this Ligand-Target Pair