BDBM42285 2-[[5-(2-furanyl)-4-(3-methoxypropyl)-1,2,4-triazol-3-yl]thio]acetic acid cyclohexyl ester::2-[[5-(2-furyl)-4-(3-methoxypropyl)-1,2,4-triazol-3-yl]thio]acetic acid cyclohexyl ester::MLS000031830::SMR000002841::[5-Furan-2-yl-4-(3-methoxy-propyl)-4H-[1,2,4]triazol-3-ylsulfanyl]-acetic acid cyclohexyl ester::cid_653294::cyclohexyl 2-[[5-(furan-2-yl)-4-(3-methoxypropyl)-1,2,4-triazol-3-yl]sulfanyl]acetate::cyclohexyl 2-[[5-(furan-2-yl)-4-(3-methoxypropyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoate
SMILES: COCCCn1c(SCC(=O)OC2CCCCC2)nnc1-c1ccco1
InChI Key: InChIKey=OTNSMZRSMCHOSW-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)) | BDBM42285 (2-[[5-(2-furanyl)-4-(3-methoxypropyl)-1,2,4-triazo...) | 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 | >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 |