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SMILES: Clc1ccccc1CNc1ccnc(NC2CCN(Cc3ccccc3)CC2)n1

InChI Key: InChIKey=PWXHGWMZTWHEKM-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50387095   

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
Beta-secretase 1 (Homo sapiens (Human))	BDBM50387095 (CHEMBL2047223) Show SMILES Clc1ccccc1CNc1ccnc(NC2CCN(Cc3ccccc3)CC2)n1 Show InChI InChI=1S/C23H26ClN5/c24-21-9-5-4-8-19(21)16-26-22-10-13-25-23(28-22)27-20-11-14-29(15-12-20)17-18-6-2-1-3-7-18/h1-10,13,20H,11-12,14-17H2,(H2,25,26,27,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Waterloo Curated by ChEMBL					Assay Description Inhibition of BACE1				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
Acetylcholinesterase (Homo sapiens (Human))	BDBM50387095 (CHEMBL2047223) Show SMILES Clc1ccccc1CNc1ccnc(NC2CCN(Cc3ccccc3)CC2)n1 Show InChI InChI=1S/C23H26ClN5/c24-21-9-5-4-8-19(21)16-26-22-10-13-25-23(28-22)27-20-11-14-29(15-12-20)17-18-6-2-1-3-7-18/h1-10,13,20H,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	7.70E+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))	BDBM50387095 (CHEMBL2047223) Show SMILES Clc1ccccc1CNc1ccnc(NC2CCN(Cc3ccccc3)CC2)n1 Show InChI InChI=1S/C23H26ClN5/c24-21-9-5-4-8-19(21)16-26-22-10-13-25-23(28-22)27-20-11-14-29(15-12-20)17-18-6-2-1-3-7-18/h1-10,13,20H,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	2.40E+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