BDBM10507 5-(1,2-dithiolan-3-yl)-N-[3-(1,2,3,4-tetrahydroacridin-9-ylamino)propyl]pentanamide::tacrine-lipoic acid hybrid 2

SMILES: O=C(CCCCC1CCSS1)NCCCNc1c2CCCCc2nc2ccccc12

InChI Key: InChIKey=FUZSKXNTSYMEMF-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 = 10507   

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))	BDBM10507 (5-(1,2-dithiolan-3-yl)-N-[3-(1,2,3,4-tetrahydroacr...) Show SMILES O=C(CCCCC1CCSS1)NCCCNc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C24H33N3OS2/c28-23(13-6-1-8-18-14-17-29-30-18)25-15-7-16-26-24-19-9-2-4-11-21(19)27-22-12-5-3-10-20(22)24/h2,4,9,11,18H,1,3,5-8,10,12-17H2,(H,25,28)(H,26,27)	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	12	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))	BDBM10507 (5-(1,2-dithiolan-3-yl)-N-[3-(1,2,3,4-tetrahydroacr...) Show SMILES O=C(CCCCC1CCSS1)NCCCNc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C24H33N3OS2/c28-23(13-6-1-8-18-14-17-29-30-18)25-15-7-16-26-24-19-9-2-4-11-21(19)27-22-12-5-3-10-20(22)24/h2,4,9,11,18H,1,3,5-8,10,12-17H2,(H,25,28)(H,26,27)	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	6.96	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