BDBM50316866 CHEMBL1087736::N-((S)-1-((4S,5S,7R)-5-hydroxy-8-(isobutylamino)-2,7-dimethyl-8-oxooctan-4-ylamino)-1-oxo-3-phenylpropan-2-yl)-4-nitrobenzamide
SMILES: CC(C)CNC(=O)[C@H](C)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(cc1)[N+]([O-])=O
InChI Key: InChIKey=DJFBJFNKECFROO-FBZFJNBBSA-N
Data: 1 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)) | BDBM50316866 (CHEMBL1087736 | N-((S)-1-((4S,5S,7R)-5-hydroxy-8-(...) | PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 1.57E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Peking University Curated by ChEMBL | Assay Description Inhibition of human recombinant BACE1 using fluorescent peptide substrate after 5 mins | Eur J Med Chem 45: 2089-94 (2010) Article DOI: 10.1016/j.ejmech.2010.01.044 BindingDB Entry DOI: 10.7270/Q2CF9Q86 | |||||||||||
More data for this Ligand-Target Pair |