BDBM16770 (1R,3S,5S)-5-[(3S,4S)-N-[(1S)-1-carbamoyl-2-methylpropyl]-5-(3,5-difluorophenyl)-4-{[3-(dipropylcarbamoyl)phenyl]formamido}-3-hydroxypentanamide]cyclohexane-1,3-dicarboxylic acid::Statine Compound, 21
SMILES: CCCN(CCC)C(=O)c1cccc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@@H](O)CC(=O)N[C@@H](C(C)C)C(=O)N[C@@H]1C[C@@H](C[C@@H](C1)C(O)=O)C(O)=O
InChI Key: InChIKey=UIRBVORWZZIYQQ-UCTOGJPGSA-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)) | BDBM16770 ((1R,3S,5S)-5-[(3S,4S)-N-[(1S)-1-carbamoyl-2-methyl...) | PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 1 | n/a | n/a | n/a | n/a | 4.8 | 37 |
Elan Pharmaceuticals | Assay Description Beta-cleavage ELISA assays were carried out in reaction buffer containing enzyme, substrate MBP-C125, and test compounds. Generated beta-cleaved prod... | J Med Chem 47: 158-64 (2004) Article DOI: 10.1021/jm0304008 BindingDB Entry DOI: 10.7270/Q2G73BZ6 | |||||||||||
More data for this Ligand-Target Pair |