BDBM50299244 CHEMBL591428::N1-((2S,3S)-4-(cyclopropylamino)-3-hydroxy-1-phenylbutan-2-yl)-N3-((R)-1-(4-fluorophenyl)ethyl)-5-(methylsulfonamido)isophthalamide
SMILES: C[C@@H](NC(=O)c1cc(NS(C)(=O)=O)cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CNC1CC1)c1ccc(F)cc1
InChI Key: InChIKey=XMAYUKKFZWBWNS-KEFSCGHKSA-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)) | BDBM50299244 (CHEMBL591428 | N1-((2S,3S)-4-(cyclopropylamino)-3-...) | PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Sharjah Curated by ChEMBL | Assay Description Inhibition of human recombinant BACE1 by FRET assay | J Med Chem 52: 6484-8 (2009) Article DOI: 10.1021/jm9008482 BindingDB Entry DOI: 10.7270/Q2765FC2 | |||||||||||
More data for this Ligand-Target Pair |