BDBM50320578 CHEMBL1165545::N-[(1S,2R)-1-Benzyl-2-hydroxy-3-(3-trifluoromethyl-phenylamino)-propyl]-3-(1,1-dioxo-1lambda*6*-[1,2]thiazinan-2-yl)-5-ethylamino-benzamide
SMILES: CCNc1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNc1cccc(c1)C(F)(F)F)N1CCCCS1(=O)=O
InChI Key: InChIKey=DZZQSMYRZGWURM-WUFINQPMSA-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)) | BDBM50320578 (CHEMBL1165545 | N-[(1S,2R)-1-Benzyl-2-hydroxy-3-(3...) | PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute of Science and Technology Curated by ChEMBL | Assay Description Inhibition of BACE1 | Eur J Med Chem 45: 2578-90 (2010) Article DOI: 10.1016/j.ejmech.2010.02.046 BindingDB Entry DOI: 10.7270/Q23778WK | |||||||||||
More data for this Ligand-Target Pair |