BDBM50199529 CHEMBL440054::N,N'-dimethyl-N,N'-bis[2-(1-oxo-8,15-didehydrolycodinocarbonyl)ethyl]-1,12-dodecanediamine
SMILES: CN(CCCCCCCCCCCCN(C)CCC(=O)N1CCC[C@@H]2[C@@H]3Cc4[nH]c(=O)ccc4[C@]12CC(C)=C3)CCC(=O)N1CCC[C@@H]2[C@@H]3Cc4[nH]c(=O)ccc4[C@]12CC(C)=C3
InChI Key: InChIKey=TUYZMCKAYFZSRO-OGOZHRJYSA-N
Data: 2 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)) | BDBM50199529 (CHEMBL440054 | N,N'-dimethyl-N,N'-bis[2-(1-oxo-8,1...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 23.1 | n/a | n/a | n/a | n/a | 5.0 | n/a |
Chinese Academy of Sciences Curated by ChEMBL | Assay Description Inhibition of AChE in rat cortex at pH 5 | Bioorg Med Chem 15: 1394-408 (2007) Article DOI: 10.1016/j.bmc.2006.11.009 BindingDB Entry DOI: 10.7270/Q27W6BTX | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carboxylic ester hydrolase (Rattus norvegicus (rat)) | BDBM50199529 (CHEMBL440054 | N,N'-dimethyl-N,N'-bis[2-(1-oxo-8,1...) | Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 8.84E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences Curated by ChEMBL | Assay Description Inhibition of BuChE in rat serum | Bioorg Med Chem 15: 1394-408 (2007) Article DOI: 10.1016/j.bmc.2006.11.009 BindingDB Entry DOI: 10.7270/Q27W6BTX | |||||||||||
More data for this Ligand-Target Pair |