BDBM50456912 CHEMBL4214755
SMILES: CCN(Cc1ccccc1)Cc1ccc(NC(=O)Cc2ccc(OC)c(O)c2)cc1
InChI Key: InChIKey=FBMQROMIUKCEIV-UHFFFAOYSA-N
Data: 4 IC50
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 (Electrophorus electricus (Electric eel)) | BDBM50456912 (CHEMBL4214755) | UniProtKB/SwissProt GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | 1.89E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University Curated by ChEMBL | Assay Description Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured up to 180... | Eur J Med Chem 139: 68-83 (2017) Article DOI: 10.1016/j.ejmech.2017.07.077 BindingDB Entry DOI: 10.7270/Q2Q52S78 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cholinesterase (Equus caballus (Horse)) | BDBM50456912 (CHEMBL4214755) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | 3.29E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University Curated by ChEMBL | Assay Description Inhibition of equine serum BChE using S-butyrylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured up to ... | Eur J Med Chem 139: 68-83 (2017) Article DOI: 10.1016/j.ejmech.2017.07.077 BindingDB Entry DOI: 10.7270/Q2Q52S78 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Acetylcholinesterase (Homo sapiens (Human)) | BDBM50456912 (CHEMBL4214755) | 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 | 2.76E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University Curated by ChEMBL | Assay Description Inhibition of human erythrocytic AChE using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured up ... | Eur J Med Chem 139: 68-83 (2017) Article DOI: 10.1016/j.ejmech.2017.07.077 BindingDB Entry DOI: 10.7270/Q2Q52S78 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cholinesterases; ACHE & BCHE (Homo sapiens (Human)) | BDBM50456912 (CHEMBL4214755) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | 1.46E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University Curated by ChEMBL | Assay Description Inhibition of human serum BChE using S-butyrylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured up to 1... | Eur J Med Chem 139: 68-83 (2017) Article DOI: 10.1016/j.ejmech.2017.07.077 BindingDB Entry DOI: 10.7270/Q2Q52S78 | |||||||||||
More data for this Ligand-Target Pair |