BDBM50515459 CHEMBL4545701
SMILES: C(CCNc1c2CCCCc2nc2ccccc12)CCOCCc1ccc(OCc2ccccc2)c(OCc2ccccc2)c1
InChI Key: InChIKey=KABZVCNOZFGCQY-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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Cholinesterase (Equus caballus (Horse)) | BDBM50515459![]() (CHEMBL4545701) | PDB UniProtKB/SwissProt GoogleScholar AffyNet ![]() | PC cid PC sid UniChem | Article PubMed | 2.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universidad de Sevilla Curated by ChEMBL | Assay Description Inhibition of equine serum BuChE assessed as dissociation constant for enzyme-substrate-inhibitor complex using butyrylthiocholine iodide as substrat... | Eur J Med Chem 181: (2019) Article DOI: 10.1016/j.ejmech.2019.07.053 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cholinesterase (Equus caballus (Horse)) | BDBM50515459![]() (CHEMBL4545701) | PDB UniProtKB/SwissProt GoogleScholar AffyNet ![]() | PC cid PC sid UniChem | Article PubMed | 4.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universidad de Sevilla Curated by ChEMBL | Assay Description Inhibition of equine serum BuChE assessed as dissociation constant for enzyme-inhibitor complex using butyrylthiocholine iodide as substrate measured... | Eur J Med Chem 181: (2019) Article DOI: 10.1016/j.ejmech.2019.07.053 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Acetylcholinesterase (Electrophorus electricus (Electric eel)) | BDBM50515459![]() (CHEMBL4545701) | UniProtKB/SwissProt GoogleScholar AffyNet ![]() | PC cid PC sid UniChem | Article PubMed | 130 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universidad de Sevilla Curated by ChEMBL | Assay Description Inhibition of electric eel AChE assessed as dissociation constant for enzyme-substrate-inhibitor complex using acetylthiocholine iodide as substrate ... | Eur J Med Chem 181: (2019) Article DOI: 10.1016/j.ejmech.2019.07.053 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Acetylcholinesterase (Electrophorus electricus (Electric eel)) | BDBM50515459![]() (CHEMBL4545701) | UniProtKB/SwissProt GoogleScholar AffyNet ![]() | PC cid PC sid UniChem | Article PubMed | 340 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universidad de Sevilla Curated by ChEMBL | Assay Description Inhibition of electric eel AChE assessed as dissociation constant for enzyme-inhibitor complex using acetylthiocholine iodide as substrate measured f... | Eur J Med Chem 181: (2019) Article DOI: 10.1016/j.ejmech.2019.07.053 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Acetylcholinesterase (Homo sapiens (Human)) | BDBM50515459![]() (CHEMBL4545701) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![]() | PC cid PC sid UniChem | Article PubMed | n/a | n/a | 506 | n/a | n/a | n/a | n/a | n/a | n/a |
Universidad de Sevilla Curated by ChEMBL | Assay Description Inhibition of human recombinant AChE expressed in HEK293 cells using acetylcholine iodide as substrate preincubated with enzyme for 20 mins followed ... | Eur J Med Chem 181: (2019) Article DOI: 10.1016/j.ejmech.2019.07.053 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cholinesterases; ACHE & BCHE (Homo sapiens (Human)) | BDBM50515459![]() (CHEMBL4545701) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![]() | PC cid PC sid UniChem | Article PubMed | n/a | n/a | 0.497 | n/a | n/a | n/a | n/a | n/a | n/a |
Universidad de Sevilla Curated by ChEMBL | Assay Description Inhibition of human serum BuChe by Ellman's method | Eur J Med Chem 181: (2019) Article DOI: 10.1016/j.ejmech.2019.07.053 | |||||||||||
More data for this Ligand-Target Pair |