BDBM50234795 CHEMBL4089082
SMILES: [H][C@]12NCC[C@@]1(C)c1cc(OC(=O)Nc3ccc(cc3)C(C)C)ccc1N2
InChI Key: InChIKey=ZIGIADNCAWZUAB-CTNGQTDRSA-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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Cholinesterases (Homo sapiens (Human)) | BDBM50234795 (CHEMBL4089082) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | PubMed | 0.131 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Martin-Luther University Halle-Wittenberg Curated by ChEMBL | Assay Description Inhibition of human serum BChE using butyrylthiocholine iodide as substrate by Ellman's method | Eur J Med Chem 126: 652-668 (2017) BindingDB Entry DOI: 10.7270/Q2X0698K | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Acetylcholinesterase (Homo sapiens (Human)) | BDBM50234795 (CHEMBL4089082) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 110 | n/a | n/a | n/a | n/a | n/a | n/a |
Martin-Luther University Halle-Wittenberg Curated by ChEMBL | Assay Description Inhibition of human plasma AChE using acetyl-(beta-methyl)thiocholine as substrate preincubated for 30 mins followed by substrate addition measured a... | Eur J Med Chem 126: 652-668 (2017) BindingDB Entry DOI: 10.7270/Q2X0698K | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cholinesterases (Homo sapiens (Human)) | BDBM50234795 (CHEMBL4089082) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Martin-Luther University Halle-Wittenberg Curated by ChEMBL | Assay Description Inhibition of human erythrocyte BChE using S-butyrylthiocholine as substrate preincubated for 30 mins followed by substrate addition measured after 2... | Eur J Med Chem 126: 652-668 (2017) BindingDB Entry DOI: 10.7270/Q2X0698K | |||||||||||
More data for this Ligand-Target Pair |