BDBM10510 5-(1,2-dithiolan-3-yl)-N-[6-(1,2,3,4-tetrahydroacridin-9-ylamino)hexyl]pentanamide::tacrine-lipoic acid hybrid 5

SMILES: O=C(CCCCC1CCSS1)NCCCCCCNc1c2CCCCc2nc2ccccc12

InChI Key: InChIKey=GWKZBCSXCDIJEX-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 = 10510   

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))	BDBM10510 (5-(1,2-dithiolan-3-yl)-N-[6-(1,2,3,4-tetrahydroacr...) Show SMILES O=C(CCCCC1CCSS1)NCCCCCCNc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C27H39N3OS2/c31-26(16-8-3-11-21-17-20-32-33-21)28-18-9-1-2-10-19-29-27-22-12-4-6-14-24(22)30-25-15-7-5-13-23(25)27/h4,6,12,14,21H,1-3,5,7-11,13,15-20H2,(H,28,31)(H,29,30)	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	3.24	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))	BDBM10510 (5-(1,2-dithiolan-3-yl)-N-[6-(1,2,3,4-tetrahydroacr...) Show SMILES O=C(CCCCC1CCSS1)NCCCCCCNc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C27H39N3OS2/c31-26(16-8-3-11-21-17-20-32-33-21)28-18-9-1-2-10-19-29-27-22-12-4-6-14-24(22)30-25-15-7-5-13-23(25)27/h4,6,12,14,21H,1-3,5,7-11,13,15-20H2,(H,28,31)(H,29,30)	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	30.1	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