BDBM8970 CHEMBL51197::N-[7-(1,2,3,4-tetrahydroacridin-9-ylsulfanyl)heptyl]-1,2,3,4-tetrahydroacridin-9-amine::Tacrine Dimer 4f::tacrine heterobivalent compound 3e
SMILES: C(CCCNc1c2CCCCc2nc2ccccc12)CCCSc1c2CCCCc2nc2ccccc12
InChI Key: InChIKey=QRIQNQYNWBQHLY-UHFFFAOYSA-N
PDB links: 1 PDB ID contains inhibitors having a similarity of 90% to this monomer.
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Butyrylcholinesterase (BChE) (Equus caballus (Horse)) | BDBM8970 (CHEMBL51197 | N-[7-(1,2,3,4-tetrahydroacridin-9-yl...) | PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 35 | -10.2 | 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 | |||||||||||||
Cholinesterases (Homo sapiens (Human)) | BDBM8970 (CHEMBL51197 | N-[7-(1,2,3,4-tetrahydroacridin-9-yl...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 35 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Siena Curated by ChEMBL | Assay Description Inhibition of Equine Butyrylcholinesterase | J Med Chem 46: 1-4 (2002) Article DOI: 10.1021/jm0255668 BindingDB Entry DOI: 10.7270/Q2GF0V7X | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Butyrylcholinesterase (BChE) (Equus caballus (Horse)) | BDBM8970 (CHEMBL51197 | N-[7-(1,2,3,4-tetrahydroacridin-9-yl...) | PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 35 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universita 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 ... | J Med Chem 48: 1919-29 (2005) Article DOI: 10.1021/jm049510k BindingDB Entry DOI: 10.7270/Q27P8WMJ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Acetylcholinesterase (Bos taurus (bovine)) | BDBM8970 (CHEMBL51197 | N-[7-(1,2,3,4-tetrahydroacridin-9-yl...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 340 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Siena Curated by ChEMBL | Assay Description Inhibition of fetal Bovine serum AChE | J Med Chem 46: 1-4 (2002) Article DOI: 10.1021/jm0255668 BindingDB Entry DOI: 10.7270/Q2GF0V7X | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Acetylcholinesterase (Homo sapiens (Human)) | BDBM8970 (CHEMBL51197 | N-[7-(1,2,3,4-tetrahydroacridin-9-yl...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 340 | -8.82 | 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 | |||||||||||||
Acetylcholinesterase (Homo sapiens (Human)) | BDBM8970 (CHEMBL51197 | N-[7-(1,2,3,4-tetrahydroacridin-9-yl...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 340 | -8.82 | n/a | n/a | n/a | n/a | n/a | 8.0 | 25 |
Universita 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 ... | J Med Chem 48: 1919-29 (2005) Article DOI: 10.1021/jm049510k BindingDB Entry DOI: 10.7270/Q27P8WMJ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Acetylcholinesterase (Bos taurus (bovine)) | BDBM8970 (CHEMBL51197 | N-[7-(1,2,3,4-tetrahydroacridin-9-yl...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 340 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University Curated by ChEMBL | Assay Description Inhibition of fetal bovine serum AChE using acetylthiocholine iodide as substrate | Eur J Med Chem 132: 294-309 (2017) Article DOI: 10.1016/j.ejmech.2017.03.062 BindingDB Entry DOI: 10.7270/Q2HX1G33 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cholinesterase (Equus caballus (Horse)) | BDBM8970 (CHEMBL51197 | N-[7-(1,2,3,4-tetrahydroacridin-9-yl...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 35 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University Curated by ChEMBL | Assay Description Inhibition of equine serum BChE using butyrylthiocholine iodide as substrate | Eur J Med Chem 132: 294-309 (2017) Article DOI: 10.1016/j.ejmech.2017.03.062 BindingDB Entry DOI: 10.7270/Q2HX1G33 | |||||||||||
More data for this Ligand-Target Pair |