BDBM50155999 CHEMBL363255::Glu-Leu-Asp-Leu-(CHOH-CH2)-Ala-Ala-Glu-Phe
SMILES: CC(C)C[C@H](NC(=O)[C@@H](N)CCC(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)C(O)CN[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
InChI Key: InChIKey=WAHCXYBUKGOGCQ-SHELQGHFSA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Beta-secretase 1 (Homo sapiens (Human)) | BDBM50155999 (CHEMBL363255 | Glu-Leu-Asp-Leu-(CHOH-CH2)-Ala-Ala-...) | PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 0.300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Zürich Curated by ChEMBL | Assay Description Binding affinity towards Beta-secretase determined using continuum electrostatics solvation | J Med Chem 47: 5791-7 (2004) Article DOI: 10.1021/jm049726m BindingDB Entry DOI: 10.7270/Q2NG4Q3W | |||||||||||
More data for this Ligand-Target Pair |