BDBM26768 3-ethoxy-N-[(2S,3R)-3-hydroxy-1-phenyl-4-({[3-(trifluoromethyl)phenyl]methyl}amino)butan-2-yl]-5-(2-oxopyrrolidin-1-yl)benzamide::hydroxy ethylamine (HEA), 1
SMILES: CCOc1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cccc(c1)C(F)(F)F)N1CCCC1=O
InChI Key: InChIKey=RNICSWUEDSWABW-WUFINQPMSA-N
Data: 3 IC50
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Beta-secretase 1 (Homo sapiens (Human)) | BDBM26768![]() (3-ethoxy-N-[(2S,3R)-3-hydroxy-1-phenyl-4-({[3-(tri...) | PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet ![]() | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 380 | n/a | n/a | n/a | n/a | 4.5 | 22 |
GSK | Assay Description Enzyme activity and inhibition were assayed using a fluorescent FAM-[SEVNLDAEFK]-TAMRA substrate. Control reactions with no enzyme were included in e... | Bioorg Med Chem Lett 18: 1022-6 (2008) Article DOI: 10.1016/j.bmcl.2007.12.020 BindingDB Entry DOI: 10.7270/Q2MC8XBP | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cathepsin D (Homo sapiens (Human)) | BDBM26768![]() (3-ethoxy-N-[(2S,3R)-3-hydroxy-1-phenyl-4-({[3-(tri...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![]() | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 3.43E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
GSK | Assay Description Enzyme activity and inhibition were assayed using a fluorescent FAM-[SEVNLDAEFK]-TAMRA substrate. Control reactions with no enzyme were included in e... | Bioorg Med Chem Lett 18: 1022-6 (2008) Article DOI: 10.1016/j.bmcl.2007.12.020 BindingDB Entry DOI: 10.7270/Q2MC8XBP | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Beta-secretase 2 (Homo sapiens (Human)) | BDBM26768![]() (3-ethoxy-N-[(2S,3R)-3-hydroxy-1-phenyl-4-({[3-(tri...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet ![]() | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 2.68E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
GSK | Assay Description Enzyme activity and inhibition were assayed using a fluorescent FAM-[SEVNLDAEFK]-TAMRA substrate. Control reactions with no enzyme were included in e... | Bioorg Med Chem Lett 18: 1022-6 (2008) Article DOI: 10.1016/j.bmcl.2007.12.020 BindingDB Entry DOI: 10.7270/Q2MC8XBP | |||||||||||
More data for this Ligand-Target Pair |