BDBM50141551 5-[(S)-3-((S)-2-{(S)-2-[2-Amino-3-((S)-carboxyamino)-propionylamino]-3-methyl-butyrylamino}-4-methyl-pentanoylamino)-2-(R)-hydroxy-4-phenyl-butyrylamino]-isophthalic acid::CHEMBL288713
SMILES: CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CNC(O)=O)C(C)C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C(=O)Nc1cc(cc(c1)C(O)=O)C(O)=O
InChI Key: InChIKey=BOEQYSIWEFHEJW-WBAQKLHDSA-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)) | BDBM50141551 (5-[(S)-3-((S)-2-{(S)-2-[2-Amino-3-((S)-carboxyamin...) | 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 | 3.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyoto Pharmaceutical University Curated by ChEMBL | Assay Description Inhibitory concentration of compound against Beta-secretase 1 was evaluated | Bioorg Med Chem Lett 14: 1527-31 (2004) Article DOI: 10.1016/j.bmcl.2003.12.088 BindingDB Entry DOI: 10.7270/Q2V987H4 | |||||||||||
More data for this Ligand-Target Pair |