BDBM15789 (2S)-1-(2,5-dimethylphenoxy)-3-(morpholin-4-yl)propan-2-ol::aliphatic hydroxyl fragment 5::fragment 5
SMILES: Cc1ccc(C)c(OC[C@@H](O)CN2CCOCC2)c1
InChI Key: InChIKey=HVMGGHDPXHODHE-AWEZNQCLSA-N
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 |
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Beta-secretase 1 (Homo sapiens (Human)) | BDBM15789 ((2S)-1-(2,5-dimethylphenoxy)-3-(morpholin-4-yl)pro...) | PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet | Purchase DrugBank MMDB PC cid PC sid PDB UniChem Similars | MMDB PDB Article PubMed | n/a | n/a | >1.00E+6 | n/a | n/a | n/a | n/a | 5.0 | 22 |
Astex | Assay Description Activity of BACE-1 was measured by monitoring the cleavage of its peptide substrate on a Fluoroskan Ascent plate reader with excitation and emission ... | J Med Chem 50: 1116-23 (2007) Article DOI: 10.1021/jm0611962 BindingDB Entry DOI: 10.7270/Q2Q23XHV | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) |