BDBM50312541 ((S)-1-[(S)-1-[(1S,2S,4R)-4-((S)-1-Benzylcarbamoyl-2-methyl-propylcarbamoyl)-1-(3,5-difluoro-benzyloxymethyl)-2-hydroxy-pentylcarbamoyl]-3-methylsulfanyl-propylcarbamoyl]-2-methyl-propyl)-carbamic acid tert-butyl ester::CHEMBL1076907
SMILES: CSCC[C@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)C(=O)N[C@@H](COCc1cc(F)cc(F)c1)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)NCc1ccccc1
InChI Key: InChIKey=FWIQAIRGJDJIAV-JLYHLUBJSA-N
Data: 2 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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Cathepsin D (Homo sapiens (Human)) | BDBM50312541 (((S)-1-[(S)-1-[(1S,2S,4R)-4-((S)-1-Benzylcarbamoyl...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | Article PubMed | n/a | n/a | 0.630 | n/a | n/a | n/a | n/a | n/a | n/a |
Link£ping University Curated by ChEMBL | Assay Description Inhibition of human liver cathepsin D after 20 mins by homogeneous time resolved fluorescence assay | Eur J Med Chem 45: 870-82 (2010) Article DOI: 10.1016/j.ejmech.2009.11.013 BindingDB Entry DOI: 10.7270/Q2ZG6SCV | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Beta-secretase 1 (Homo sapiens (Human)) | BDBM50312541 (((S)-1-[(S)-1-[(1S,2S,4R)-4-((S)-1-Benzylcarbamoyl...) | PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | Article PubMed | n/a | n/a | 1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Link£ping University Curated by ChEMBL | Assay Description Inhibition of BACE1 after 30 mins by homogeneous time resolved fluorescence assay | Eur J Med Chem 45: 870-82 (2010) Article DOI: 10.1016/j.ejmech.2009.11.013 BindingDB Entry DOI: 10.7270/Q2ZG6SCV | |||||||||||
More data for this Ligand-Target Pair |