BDBM50039732 4-(2-(1-benzylpiperidin-4-yl)ethyl)quinazoline::4-[2-(1-Benzyl-piperidin-4-yl)-ethyl]-quinazoline::CHEMBL329531

SMILES: C(Cc1ncnc2ccccc12)C1CCN(Cc2ccccc2)CC1

InChI Key: InChIKey=ZJCILDCILOKWCX-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50039732   

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))	BDBM50039732 (4-(2-(1-benzylpiperidin-4-yl)ethyl)quinazoline | 4...) Show SMILES C(Cc1ncnc2ccccc12)C1CCN(Cc2ccccc2)CC1 Show InChI InChI=1S/C22H25N3/c1-2-6-19(7-3-1)16-25-14-12-18(13-15-25)10-11-22-20-8-4-5-9-21(20)23-17-24-22/h1-9,17-18H,10-16H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	339	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal do Rio de Janeiro (UFRJ) Curated by ChEMBL					Assay Description Inhibition of human acetylcholinesterase				Eur J Med Chem 46: 39-51 (2010) Article DOI: 10.1016/j.ejmech.2010.10.009 BindingDB Entry DOI: 10.7270/Q2SX6FG0
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50039732 (4-(2-(1-benzylpiperidin-4-yl)ethyl)quinazoline | 4...) Show SMILES C(Cc1ncnc2ccccc12)C1CCN(Cc2ccccc2)CC1 Show InChI InChI=1S/C22H25N3/c1-2-6-19(7-3-1)16-25-14-12-18(13-15-25)10-11-22-20-8-4-5-9-21(20)23-17-24-22/h1-9,17-18H,10-16H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	340	n/a	n/a	n/a	n/a	n/a	n/a
University of Missouri-St. Louis Curated by ChEMBL					Assay Description Inhibition against Acetylcholinesterase (AChE)				J Med Chem 39: 380-7 (1996) Article DOI: 10.1021/jm950704x BindingDB Entry DOI: 10.7270/Q25D8T1Q
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50039732 (4-(2-(1-benzylpiperidin-4-yl)ethyl)quinazoline | 4...) Show SMILES C(Cc1ncnc2ccccc12)C1CCN(Cc2ccccc2)CC1 Show InChI InChI=1S/C22H25N3/c1-2-6-19(7-3-1)16-25-14-12-18(13-15-25)10-11-22-20-8-4-5-9-21(20)23-17-24-22/h1-9,17-18H,10-16H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	340	n/a	n/a	n/a	n/a	n/a	n/a
Sichuan University Curated by ChEMBL					Assay Description Inhibition of AChE				Eur J Med Chem 45: 1167-72 (2010) Article DOI: 10.1016/j.ejmech.2009.12.038 BindingDB Entry DOI: 10.7270/Q25H7GFM
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50039732 (4-(2-(1-benzylpiperidin-4-yl)ethyl)quinazoline | 4...) Show SMILES C(Cc1ncnc2ccccc12)C1CCN(Cc2ccccc2)CC1 Show InChI InChI=1S/C22H25N3/c1-2-6-19(7-3-1)16-25-14-12-18(13-15-25)10-11-22-20-8-4-5-9-21(20)23-17-24-22/h1-9,17-18H,10-16H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	n/a	n/a	340	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Evaluated for the in vitro inhibition of the Acetylcholinesterase (AChE) from human erythrocytes				J Med Chem 37: 2721-34 (1994) BindingDB Entry DOI: 10.7270/Q2VT1R4X
					More data for this Ligand-Target Pair