BDBM50156017 ((S)-1-{1-[(S)-4-((S)-1-Benzylcarbamoyl-2-methyl-propylcarbamoyl)-2-hydroxy-1-isobutyl-pentylcarbamoyl]-3-methylsulfanyl-propylcarbamoyl}-2-methyl-propyl)-carbamic acid tert-butyl ester::CHEMBL187614
SMILES: CSCCC(NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)C(=O)N[C@@H](CC(C)C)C(O)CC(C)C(=O)N[C@@H](C(C)C)C(=O)NCc1ccccc1
InChI Key: InChIKey=OTAKXFOXYSLTCG-MRTJMDALSA-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)) | BDBM50156017 (((S)-1-{1-[(S)-4-((S)-1-Benzylcarbamoyl-2-methyl-p...) | PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 2.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Zürich Curated by ChEMBL | Assay Description Binding affinity towards Beta-secretase determined using continuum electrostatics solvation | J Med Chem 47: 5791-7 (2004) Article DOI: 10.1021/jm049726m BindingDB Entry DOI: 10.7270/Q2NG4Q3W | |||||||||||
More data for this Ligand-Target Pair |