BDBM42269 (8-Fluoro-5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)-acetic acid benzyl ester::(phenylmethyl) 2-[(8-fluoranyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]ethanoate::2-[(8-fluoro-5H-[1,2,4]triazin[5,6-b]indol-3-yl)thio]acetic acid benzyl ester::2-[(8-fluoro-5H-[1,2,4]triazino[5,6-b]indol-3-yl)thio]acetic acid (phenylmethyl) ester::MLS000072691::SMR000001812::benzyl 2-[(8-fluoro-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetate::cid_6398898
SMILES: Fc1ccc2[nH]c3nc(SCC(=O)OCc4ccccc4)nnc3c2c1
InChI Key: InChIKey=OWABXZDBNZGBHE-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)) | BDBM42269 ((8-Fluoro-5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfa...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem | PCBioAssay | n/a | n/a | n/a | n/a | >5.00E+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 |