BDBM42298 2-(5'-bromo-2'-keto-spiro[1,3-dioxane-2,3'-indoline]-1'-yl)acetic acid methyl ester::2-(5'-bromo-2'-oxo-1'-spiro[1,3-dioxane-2,3'-indole]yl)acetic acid methyl ester::MLS000038210::SMR000036812::cid_658905::methyl 2-(5'-bromanyl-2'-oxidanylidene-spiro[1,3-dioxane-2,3'-indole]-1'-yl)ethanoate::methyl 2-(5'-bromo-2'-oxospiro[1,3-dioxane-2,3'-indole]-1'-yl)acetate
SMILES: COC(=O)CN1C(=O)C2(OCCCO2)c2cc(Br)ccc12
InChI Key: InChIKey=MOBXWXRBAONHFS-UHFFFAOYSA-N
Data: 1 EC50
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Lysosomal acid glucosylceramidase (Homo sapiens (Human)) | BDBM42298 (2-(5'-bromo-2'-keto-spiro[1,3-dioxane-2,3'-indolin...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a |
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay | Assay Description Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ... | PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q23J3BC8 | |||||||||||
More data for this Ligand-Target Pair |