BDBM50099006 7-Diethylamino-2-oxo-2H-chromene-3-carboxylic acid ((R)-(3R,5S)-3,4-dihydroxy-5-hydroxymethyl-pyrrolidin-2-ylmethyl)-amide::CHEMBL10131::CHEMBL3350092
SMILES: CCN(CC)c1ccc2cc(C(=O)NC[C@H]3N[C@H](CO)[C@H](O)[C@@H]3O)c(=O)oc2c1
InChI Key: InChIKey=IITRDZNECDODIZ-PXVWFRPOSA-N
Data: 1 KI
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)) | BDBM50099006 (7-Diethylamino-2-oxo-2H-chromene-3-carboxylic acid...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | PubMed | 1.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Technische Universität Graz Curated by ChEMBL | Assay Description Tested for inhibitory activity of the compound against Beta-glucosidase from Agrobacterium species | Bioorg Med Chem Lett 11: 1063-4 (2001) BindingDB Entry DOI: 10.7270/Q2222T12 | |||||||||||
More data for this Ligand-Target Pair |