BDBM10948 (1R,10R)-16-methyl-14-{3-[methyl({12-[methyl({3-[(1R,10R)-16-methyl-5-oxo-6,14-diazatetracyclo[7.5.3.0^{1,10}.0^{2,7}]heptadeca-2(7),3,16-trien-14-yl]-3-oxopropyl})amino]dodecyl})amino]propanoyl}-6,14-diazatetracyclo[7.5.3.0^{1,10}.0^{2,7}]heptadeca-2(7),3,16-trien-5-one::Bis-huperzine B 5h::bis(20)-HupB
SMILES: CN(CCCCCCCCCCCCN(C)CCC(=O)N1CCC[C@@H]2C3Cc4[nH]c(=O)ccc4[C@]12CC(C)=C3)CCC(=O)N1CCC[C@@H]2C3Cc4[nH]c(=O)ccc4[C@]12CC(C)=C3
InChI Key: InChIKey=TUYZMCKAYFZSRO-JDUDQBENSA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Carboxylic ester hydrolase (Rattus norvegicus (rat)) | BDBM10948 ((1R,10R)-16-methyl-14-{3-[methyl({12-[methyl({3-[(...) | Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 8.84E+4 | n/a | n/a | n/a | n/a | 7.4 | 37 |
Shanghai Institute of Materia Medica | Assay Description The cholinesterase assays were performed using colorimetric method reported by Ellman. Enzyme activity was determined by measuring the absorbance at... | J Med Chem 48: 655-7 (2005) Article DOI: 10.1021/jm0496178 BindingDB Entry DOI: 10.7270/Q2FQ9TT0 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Acetylcholinesterase (Rattus norvegicus (rat)) | BDBM10948 ((1R,10R)-16-methyl-14-{3-[methyl({12-[methyl({3-[(...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 25.2 | n/a | n/a | n/a | n/a | 7.4 | 37 |
Shanghai Institute of Materia Medica | Assay Description The cholinesterase assays were performed using colorimetric method reported by Ellman. Enzyme activity was determined by measuring the absorbance at... | J Med Chem 48: 655-7 (2005) Article DOI: 10.1021/jm0496178 BindingDB Entry DOI: 10.7270/Q2FQ9TT0 | |||||||||||
More data for this Ligand-Target Pair |