BDBM50267285 CHEMBL445804::tert-butyl (6S,9R,11S,12S,15S,18S)-11-hydroxy-12-isobutyl-6-isopropyl-2,9,19-trimethyl-15-(2-(methylthio)ethyl)-5,8,14,17-tetraoxo-4,7,13,16-tetraazaicosan-18-ylcarbamate
SMILES: CSCC[C@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)C(=O)N[C@@H](CC(C)C)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)NCC(C)C
InChI Key: InChIKey=ZMUJLPMFGFHYOY-JVACCQEYSA-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)) | BDBM50267285 (CHEMBL445804 | tert-butyl (6S,9R,11S,12S,15S,18S)-...) | PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 0.800 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Purdue University Curated by ChEMBL | Assay Description Inhibition of recombinant memapsin 2 | J Med Chem 52: 2163-76 (2009) Article DOI: 10.1021/jm900064c BindingDB Entry DOI: 10.7270/Q2KS6RF1 | |||||||||||
More data for this Ligand-Target Pair |