BDBM16024 3-benzoyl-N-[(2S,3R)-4-(cyclopropylamino)-3-hydroxy-1-phenylbutan-2-yl]-5-(N-methylmethanesulfonamido)benzamide::L-000430469::N-[(1S,2R)-1-benzyl-3-(cyclopropylamino)-2-hydroxypropyl]-3-[methyl(methylsulfonyl)amino]-5-(phenylcarbonyl)benzamide::compound 7e
SMILES: CN(c1cc(cc(c1)C(=O)c1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1)S(C)(=O)=O
InChI Key: InChIKey=WCVRLSCSQDAERN-RRPNLBNLSA-N
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 |
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Beta-secretase 1 (Homo sapiens (Human)) | BDBM16024 (3-benzoyl-N-[(2S,3R)-4-(cyclopropylamino)-3-hydrox...) | PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet | MMDB PC cid PC sid PDB UniChem Similars | MMDB PDB Article PubMed | n/a | n/a | 98 | n/a | n/a | n/a | n/a | 4.5 | 22 |
Merck Research Laboratories | Assay Description The assay was performed using a 96-well format on a HPLC equipped with four 96-well plate holders. Test compounds were preincubated with enzymes for ... | Bioorg Med Chem Lett 16: 641-4 (2006) Article DOI: 10.1016/j.bmcl.2005.10.032 BindingDB Entry DOI: 10.7270/Q28S4N5N | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) |