BDBM10509 5-(1,2-dithiolan-3-yl)-N-[5-(1,2,3,4-tetrahydroacridin-9-ylamino)pentyl]pentanamide::tacrine-lipoic acid hybrid 4

SMILES: O=C(CCCCC1CCSS1)NCCCCCNc1c2CCCCc2nc2ccccc12

InChI Key: InChIKey=TYGMTYRXRCSMAH-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 10509   

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
Cholinesterases (Homo sapiens (Human))	BDBM10509 (5-(1,2-dithiolan-3-yl)-N-[5-(1,2,3,4-tetrahydroacr...) Show SMILES O=C(CCCCC1CCSS1)NCCCCCNc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C26H37N3OS2/c30-25(15-7-2-10-20-16-19-31-32-20)27-17-8-1-9-18-28-26-21-11-3-5-13-23(21)29-24-14-6-4-12-22(24)26/h3,5,11,13,20H,1-2,4,6-10,12,14-19H2,(H,27,30)(H,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.48	n/a	n/a	n/a	n/a	8.0	37
University of Bologna					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 48: 360-3 (2005) Article DOI: 10.1021/jm049112h BindingDB Entry DOI: 10.7270/Q2JQ0Z7J
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM10509 (5-(1,2-dithiolan-3-yl)-N-[5-(1,2,3,4-tetrahydroacr...) Show SMILES O=C(CCCCC1CCSS1)NCCCCCNc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C26H37N3OS2/c30-25(15-7-2-10-20-16-19-31-32-20)27-17-8-1-9-18-28-26-21-11-3-5-13-23(21)29-24-14-6-4-12-22(24)26/h3,5,11,13,20H,1-2,4,6-10,12,14-19H2,(H,27,30)(H,28,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	38.4	n/a	n/a	n/a	n/a	8.0	37
University of Bologna					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 48: 360-3 (2005) Article DOI: 10.1021/jm049112h BindingDB Entry DOI: 10.7270/Q2JQ0Z7J
					More data for this Ligand-Target Pair