BDBM50424045 CHEMBL2314726
SMILES: COc1cc2cc(NC(=O)[C@H]3CCC[C@H](C3)NCc3ccccc3)c(=O)oc2cc1OC
InChI Key: InChIKey=UGTGSTDFYWUXNH-PKOBYXMFSA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Acetylcholinesterase (Bos taurus (bovine)) | BDBM50424045 (CHEMBL2314726) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 8.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Bari Aldo Moro Curated by ChEMBL | Assay Description Mixed-type reversible inhibition of bovine acetylcholinesterase using S-acetylthiocholine as substrate incubated for 20 mins prior to substrate addit... | Bioorg Med Chem 21: 146-52 (2012) Article DOI: 10.1016/j.bmc.2012.10.045 BindingDB Entry DOI: 10.7270/Q2QV3NTH | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Acetylcholinesterase (Homo sapiens (Human)) | BDBM50424045 (CHEMBL2314726) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 47 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bari Aldo Moro Curated by ChEMBL | Assay Description Mixed type inhibition of human AChE using acetylthiocholineiodide as substrate measured for every 30 sec for 5 mins by Ellman's method | ACS Med Chem Lett 11: 869-876 (2020) | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Acetylcholinesterase (Homo sapiens (Human)) | BDBM50424045 (CHEMBL2314726) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 93 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bari Aldo Moro Curated by ChEMBL | Assay Description Mixed type inhibition of human AChE using acetylthiocholineiodide as substrate measured for every 30 sec for 5 mins by Ellman's method | ACS Med Chem Lett 11: 869-876 (2020) | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Acetylcholinesterase (Bos taurus (bovine)) | BDBM50424045 (CHEMBL2314726) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 7.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Bari Aldo Moro Curated by ChEMBL | Assay Description Inhibition of bovine acetylcholinesterase using acetylcholine iodide as substrate incubated for 20 mins prior to substrate addition meausred after 3 ... | Bioorg Med Chem 21: 146-52 (2012) Article DOI: 10.1016/j.bmc.2012.10.045 BindingDB Entry DOI: 10.7270/Q2QV3NTH | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Acetylcholinesterase (Homo sapiens (Human)) | BDBM50424045 (CHEMBL2314726) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 37 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bari Aldo Moro Curated by ChEMBL | Assay Description Inhibition of human AChE using acetylthiocholineiodide as substrate measured for every 30 sec for 5 mins by Ellman's method | ACS Med Chem Lett 11: 869-876 (2020) | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Butyrylcholinesterase (BuChE) (Equus caballus (Horse)) | BDBM50424045 (CHEMBL2314726) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 3.30E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Bari Aldo Moro Curated by ChEMBL | Assay Description Inhibition of equine butyrylcholinesterase using butyrylthicholine as substrate incubated for 20 mins prior to substrate addition measured after 3 mi... | Bioorg Med Chem 21: 146-52 (2012) Article DOI: 10.1016/j.bmc.2012.10.045 BindingDB Entry DOI: 10.7270/Q2QV3NTH | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cholinesterases; ACHE & BCHE (Homo sapiens (Human)) | BDBM50424045 (CHEMBL2314726) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 2.33E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bari Aldo Moro Curated by ChEMBL | Assay Description Inhibition of human BChE using butyrylthiocholineiodide as substrate measured for every 30 sec for 5 mins by Ellman's method | ACS Med Chem Lett 11: 869-876 (2020) | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cholinesterases; ACHE & BCHE (Homo sapiens (Human)) | BDBM50424045 (CHEMBL2314726) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 6.25E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bari Aldo Moro Curated by ChEMBL | Assay Description Inhibition of human BChE using butyrylthiocholineiodide as substrate measured for every 30 sec for 5 mins by Ellman's method | ACS Med Chem Lett 11: 869-876 (2020) | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Acetylcholinesterase (Homo sapiens (Human)) | BDBM50424045 (CHEMBL2314726) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 380 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bari Aldo Moro Curated by ChEMBL | Assay Description Inhibition of human AChE using acetylthiocholineiodide as substrate measured for every 30 sec for 5 mins by Ellman's method | ACS Med Chem Lett 11: 869-876 (2020) | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Acetylcholinesterase (Homo sapiens (Human)) | BDBM50424045 (CHEMBL2314726) | 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 | 43 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Bari Aldo Moro Curated by ChEMBL | Assay Description Inhibition of human acetylcholinesterase | Bioorg Med Chem 21: 146-52 (2012) Article DOI: 10.1016/j.bmc.2012.10.045 BindingDB Entry DOI: 10.7270/Q2QV3NTH | |||||||||||
More data for this Ligand-Target Pair |