BDBM8964 CHEMBL75274::Homodimeric Tacrine Analog 3c::N-[8-(1,2,3,4-tetrahydroacridin-9-ylamino)octyl]-1,2,3,4-tetrahydroacridin-9-amine::Tacrine Dimer 3c::Tacrine-Based Inhibitor 2g
SMILES: C(CCCCNc1c2CCCCc2nc2ccccc12)CCCNc1c2CCCCc2nc2ccccc12
InChI Key: InChIKey=ZIDVXYDWJIVBSC-UHFFFAOYSA-N
PDB links: 4 PDB IDs contain 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 |
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Acetylcholinesterase (Homo sapiens (Human)) | BDBM8964 (CHEMBL75274 | Homodimeric Tacrine Analog 3c | N-[8...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 1.90 | -11.9 | 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 | |||||||||||||
Butyrylcholinesterase (BChE) (Equus caballus (Horse)) | BDBM8964 (CHEMBL75274 | Homodimeric Tacrine Analog 3c | N-[8...) | PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 2 | 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 (Rattus norvegicus (rat)) | BDBM8964 (CHEMBL75274 | Homodimeric Tacrine Analog 3c | N-[8...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 7.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Hong Kong University of Science and Technology | 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 42: 4225-31 (1999) Article DOI: 10.1021/jm990224w BindingDB Entry DOI: 10.7270/Q2W957CH | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Acetylcholinesterase and butyrylcholinesterase (AChE and BChE) (Rattus norvegicus (rat)) | BDBM8964 (CHEMBL75274 | Homodimeric Tacrine Analog 3c | N-[8...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 0.660 | n/a | n/a | n/a | n/a | n/a | n/a |
CSIR-Central Drug Research Institute Curated by ChEMBL | Assay Description Inhibition of rat brain Acetylcholinesterase using acetylthiocholine as substrate in presence of BChE inhibitor ethopropazine by spectrophotometric m... | Bioorg Med Chem 27: 895-930 (2019) Article DOI: 10.1016/j.bmc.2019.01.025 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carboxylic ester hydrolase (Rattus norvegicus (rat)) | BDBM8964 (CHEMBL75274 | Homodimeric Tacrine Analog 3c | N-[8...) | Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 105 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute of Science Curated by ChEMBL | Assay Description Inhibition of rat serum BuChE | J Med Chem 49: 5491-500 (2006) Article DOI: 10.1021/jm060164b BindingDB Entry DOI: 10.7270/Q2154GPX | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Acetylcholinesterase (Rattus norvegicus (rat)) | BDBM8964 (CHEMBL75274 | Homodimeric Tacrine Analog 3c | N-[8...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 7.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute of Science Curated by ChEMBL | Assay Description Inhibition of rat brain AChE | J Med Chem 49: 5491-500 (2006) Article DOI: 10.1021/jm060164b BindingDB Entry DOI: 10.7270/Q2154GPX | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Acetylcholinesterase (Homo sapiens (Human)) | BDBM8964 (CHEMBL75274 | Homodimeric Tacrine Analog 3c | N-[8...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 1.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Sichuan University Curated by ChEMBL | Assay Description Inhibition of AChE | Eur J Med Chem 45: 1167-72 (2010) Article DOI: 10.1016/j.ejmech.2009.12.038 BindingDB Entry DOI: 10.7270/Q25H7GFM | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Rhodesain (Trypanosoma brucei rhodesiense) | BDBM8964 (CHEMBL75274 | Homodimeric Tacrine Analog 3c | N-[8...) | PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 1.69E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute for Pharmacy and Food Chemistry, Julius-Maximilians-University of Würzburg, Am Hubland, 97074 Würzburg, Germany. Curated by ChEMBL | Assay Description Inhibition of Trypanosoma brucei rhodesiense rhodesain using Cbz-Phe-Arg-AMC as substrate measured for 10 mins by spectrofluorometric analysis | Bioorg Med Chem 25: 4526-4531 (2017) Article DOI: 10.1016/j.bmc.2017.06.051 BindingDB Entry DOI: 10.7270/Q2KK9F9K | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Acetylcholinesterase and butyrylcholinesterase (AChE and BChE) (Rattus norvegicus (rat)) | BDBM8964 (CHEMBL75274 | Homodimeric Tacrine Analog 3c | N-[8...) | Reactome pathway KEGG UniProtKB/TrEMBL 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 |
CSIR-Central Drug Research Institute Curated by ChEMBL | Assay Description Inhibition of rat serum butyrylcholinesterase using butyrylthiocholine as substrate in presence of AChE inhibitor BW284C51 by spectrophotometric meth... | Bioorg Med Chem 27: 895-930 (2019) Article DOI: 10.1016/j.bmc.2019.01.025 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cholinesterases (Homo sapiens (Human)) | BDBM8964 (CHEMBL75274 | Homodimeric Tacrine Analog 3c | N-[8...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 53 | n/a | n/a | n/a | n/a | n/a | n/a |
National Defense Medical Center | 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 45: 2277-82 (2002) Article DOI: 10.1021/jm010308g BindingDB Entry DOI: 10.7270/Q2KW5D89 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Acetylcholinesterase (Rattus norvegicus (rat)) | BDBM8964 (CHEMBL75274 | Homodimeric Tacrine Analog 3c | N-[8...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 1.60 | n/a | n/a | n/a | n/a | 7.4 | 37 |
National Defense Medical Center | 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 45: 2277-82 (2002) Article DOI: 10.1021/jm010308g BindingDB Entry DOI: 10.7270/Q2KW5D89 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carboxylic ester hydrolase (Rattus norvegicus (rat)) | BDBM8964 (CHEMBL75274 | Homodimeric Tacrine Analog 3c | N-[8...) | Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 105 | n/a | n/a | n/a | n/a | n/a | n/a |
Hong Kong University of Science and Technology | 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 42: 4225-31 (1999) Article DOI: 10.1021/jm990224w BindingDB Entry DOI: 10.7270/Q2W957CH | |||||||||||
More data for this Ligand-Target Pair |