BDBM50037158 CHEMBL106739::Methyl-carbamic acid 3-({ethyl-[5-(5-nitro-1,3-dioxo-1,3-dihydro-isoindol-2-yl)-pentyl]-amino}-methyl)-phenyl ester
SMILES: CCN(CCCCCN1C(=O)c2ccc(cc2C1=O)[N+]([O-])=O)Cc1cccc(OC(=O)NC)c1
InChI Key: InChIKey=WLLAZGPHIJSNGO-UHFFFAOYSA-N
Data: 1 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 (Rattus norvegicus (rat)) | BDBM50037158 (CHEMBL106739 | Methyl-carbamic acid 3-({ethyl-[5-(...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 0.380 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Chemical Industries, Ltd. Curated by ChEMBL | Assay Description Inhibition concentration against rat acetylcholinesterase | J Med Chem 37: 3141-53 (1994) BindingDB Entry DOI: 10.7270/Q2JS9PHX | |||||||||||
More data for this Ligand-Target Pair |