BDBM10523 6,8-dichloro-N-[7-(1,2,3,4-tetrahydroacridin-9-ylsulfanyl)heptyl]-1,2,3,4-tetrahydroacridin-9-amine::tacrine heterobivalent compound 3g
SMILES: Clc1cc(Cl)c2c(NCCCCCCCSc3c4CCCCc4nc4ccccc34)c3CCCCc3nc2c1
InChI Key: InChIKey=TVJGNZTYBOUSAY-UHFFFAOYSA-N
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)) | BDBM10523 (6,8-dichloro-N-[7-(1,2,3,4-tetrahydroacridin-9-yls...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 41 | -10.1 | n/a | n/a | n/a | n/a | n/a | 8.0 | 25 |
Universita degli Studi di Siena | Assay Description Inhibition of enzyme activity was measured over a substrate concentration range of 0.01-30 mM and at least six inhibitor concentrations to determine ... | Bioorg Med Chem Lett 11: 1779-82 (2001) Article DOI: 10.1016/s0960-894x(01)00294-3 BindingDB Entry DOI: 10.7270/Q2DZ06JN | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Butyrylcholinesterase (BChE) (Equus caballus (Horse)) | BDBM10523 (6,8-dichloro-N-[7-(1,2,3,4-tetrahydroacridin-9-yls...) | PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 250 | -9.00 | n/a | n/a | n/a | n/a | n/a | 8.0 | 25 |
Universita degli Studi di Siena | Assay Description Inhibition of enzyme activity was measured over a substrate concentration range of 0.01-30 mM and at least six inhibitor concentrations to determine ... | Bioorg Med Chem Lett 11: 1779-82 (2001) Article DOI: 10.1016/s0960-894x(01)00294-3 BindingDB Entry DOI: 10.7270/Q2DZ06JN | |||||||||||
More data for this Ligand-Target Pair |