BDBM50357943 CHEMBL1916768
SMILES: Nc1c2CCCCc2nc2n(c(cc12)-c1ccccc1)-c1ccccc1
InChI Key: InChIKey=VRGOOLXPHWCIIA-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 |
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Acetylcholinesterase (Electrophorus electricus (Electric eel)) | BDBM50357943 (CHEMBL1916768) | UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 621 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Lisbon Curated by ChEMBL | Assay Description Mixed-type inhibition of Electrophorus electricus AChE assessed as hydrolysis of acetylthiocholine by Lineweaver-Burk plot analysis | Eur J Med Chem 46: 6119-30 (2011) Article DOI: 10.1016/j.ejmech.2011.09.038 BindingDB Entry DOI: 10.7270/Q27M08BS | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Butyrylcholinesterase (BuChE) (Equus caballus (Horse)) | BDBM50357943 (CHEMBL1916768) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 74 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Lisbon Curated by ChEMBL | Assay Description Inhibition of equine serum BuChE using butylthiocholine iodide as substrate preincubated for 10 mins before substrate addition by Ellman's method | Eur J Med Chem 46: 6119-30 (2011) Article DOI: 10.1016/j.ejmech.2011.09.038 BindingDB Entry DOI: 10.7270/Q27M08BS | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cholinesterases (Homo sapiens (Human)) | BDBM50357943 (CHEMBL1916768) | 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 | 8.57E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Lisbon Curated by ChEMBL | Assay Description Inhibition of human serum BuChE using butyrylthiocholine as substrate by Ellman's assay | Eur J Med Chem 46: 6119-30 (2011) Article DOI: 10.1016/j.ejmech.2011.09.038 BindingDB Entry DOI: 10.7270/Q27M08BS | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Acetylcholinesterase (Electrophorus electricus (Electric eel)) | BDBM50357943 (CHEMBL1916768) | UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 610 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Lisbon Curated by ChEMBL | Assay Description Inhibition of Electrophorus electricus AChE using acetylthiocholine iodide as substrate preincubated for 10 mins before substrate addition by Ellman'... | Eur J Med Chem 46: 6119-30 (2011) Article DOI: 10.1016/j.ejmech.2011.09.038 BindingDB Entry DOI: 10.7270/Q27M08BS | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Acetylcholinesterase (Homo sapiens (Human)) | BDBM50357943 (CHEMBL1916768) | 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 | 4.55E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Lisbon Curated by ChEMBL | Assay Description Inhibition of human recombinant AChE using acetylthiocholine as substrate by Ellman's assay | Eur J Med Chem 46: 6119-30 (2011) Article DOI: 10.1016/j.ejmech.2011.09.038 BindingDB Entry DOI: 10.7270/Q27M08BS | |||||||||||
More data for this Ligand-Target Pair |