BDBM50137686 CHEMBL78781::{(S)-1-[(S)-1-((2S,4S)-1-Benzyl-2-hydroxy-4-{(R)-2-methyl-1-[(pyridin-4-ylmethyl)-carbamoyl]-propylcarbamoyl}-pentylcarbamoyl)-ethylcarbamoyl]-butyl}-carbamic acid tert-butyl ester
SMILES: CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)NCc1ccncc1
InChI Key: InChIKey=IHHAXMCDSKPMPT-CUTTXCQYSA-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)) | BDBM50137686 (CHEMBL78781 | {(S)-1-[(S)-1-((2S,4S)-1-Benzyl-2-hy...) | PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 41 | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories Curated by ChEMBL | Assay Description In vitro inhibition of Beta-secretase-1 in HEK293 (Human Embryonic Kidney) cell line. | Bioorg Med Chem Lett 14: 239-43 (2003) BindingDB Entry DOI: 10.7270/Q2MW2HP3 | |||||||||||
More data for this Ligand-Target Pair |