BDBM9427 CHEMBL1083790::Heterodimeric Tacrine-Based Inhibitor 5h::N-(9-aminononyl)-1,2,3,4-tetrahydroacridin-9-amine dihydrochloride::N-9-(1,2,3,4-Tetrahydroacridinyl)-1,9-diamino-nonane Bis-hydrochloride

SMILES: NCCCCCCCCCNc1c2CCCCc2nc2ccccc12

InChI Key: InChIKey=BMSMAYYXXZZRQN-UHFFFAOYSA-N

Data: 4 IC50

PDB links: 4 PDB IDs contain inhibitors having a similarity of 90% to this monomer.

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 = 9427   

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))	BDBM9427 (CHEMBL1083790 | Heterodimeric Tacrine-Based Inhibi...) Show SMILES NCCCCCCCCCNc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C22H33N3/c23-16-10-4-2-1-3-5-11-17-24-22-18-12-6-8-14-20(18)25-21-15-9-7-13-19(21)22/h6,8,12,14H,1-5,7,9-11,13,15-17,23H2,(H,24,25)	PDB MMDB KEGG B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	131	n/a	n/a	n/a	n/a	7.4	37
Hong Kong University of Science and Technology					Assay Description The cholinesterase assays were performed using colorimetric method reported by Ellman. Enzyme activity was determined by measuring the absorbance at...				J Med Chem 42: 4225-31 (1999) Article DOI: 10.1021/jm990224w BindingDB Entry DOI: 10.7270/Q2W957CH
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM9427 (CHEMBL1083790 | Heterodimeric Tacrine-Based Inhibi...) Show SMILES NCCCCCCCCCNc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C22H33N3/c23-16-10-4-2-1-3-5-11-17-24-22-18-12-6-8-14-20(18)25-21-15-9-7-13-19(21)22/h6,8,12,14H,1-5,7,9-11,13,15-17,23H2,(H,24,25)	GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
University of Barcelona Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition measured after 5 ...				Bioorg Med Chem 24: 5162-5171 (2016) Article DOI: 10.1016/j.bmc.2016.08.036 BindingDB Entry DOI: 10.7270/Q2V98B0N
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM9427 (CHEMBL1083790 | Heterodimeric Tacrine-Based Inhibi...) Show SMILES NCCCCCCCCCNc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C22H33N3/c23-16-10-4-2-1-3-5-11-17-24-22-18-12-6-8-14-20(18)25-21-15-9-7-13-19(21)22/h6,8,12,14H,1-5,7,9-11,13,15-17,23H2,(H,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	131	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
Carboxylic ester hydrolase (Rattus norvegicus (rat))	BDBM9427 (CHEMBL1083790 | Heterodimeric Tacrine-Based Inhibi...) Show SMILES NCCCCCCCCCNc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C22H33N3/c23-16-10-4-2-1-3-5-11-17-24-22-18-12-6-8-14-20(18)25-21-15-9-7-13-19(21)22/h6,8,12,14H,1-5,7,9-11,13,15-17,23H2,(H,24,25)	Reactome pathway KEGG GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	687	n/a	n/a	n/a	n/a	n/a	n/a
Hong Kong University of Science and Technology					Assay Description The cholinesterase assays were performed using colorimetric method reported by Ellman. Enzyme activity was determined by measuring the absorbance at...				J Med Chem 42: 4225-31 (1999) Article DOI: 10.1021/jm990224w BindingDB Entry DOI: 10.7270/Q2W957CH
					More data for this Ligand-Target Pair