BDBM50128039 CHEMBL66595::{1-[(S)-4-(1-Benzylcarbamoyl-2-methyl-propylcarbamoyl)-2-hydroxy-1-isobutyl-pentylcarbamoyl]-3-methylsulfanyl-propyl}-carbamic acid tert-butyl ester::{1-[4-(1-Benzylcarbamoyl-2-methyl-propylcarbamoyl)-2-hydroxy-1-isobutyl-pentylcarbamoyl]-3-methylsulfanyl-propyl}-carbamic acid tert-butyl ester
SMILES: CSCCC(NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(C)C)C(O)CC(C)C(=O)NC(C(C)C)C(=O)NCc1ccccc1
InChI Key: InChIKey=QFTDPCREZCGEQF-SVIXXHIISA-N
Data: 2 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)) | BDBM50128039 (CHEMBL66595 | {1-[(S)-4-(1-Benzylcarbamoyl-2-methy...) | PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 5.81E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research and Development Curated by ChEMBL | Assay Description Binding affinity for human brain memapsin 2 beta-Secretase (BACE) | J Med Chem 46: 2074-82 (2003) Article DOI: 10.1021/jm020513b BindingDB Entry DOI: 10.7270/Q2SN09P0 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Beta-secretase 1 (Homo sapiens (Human)) | BDBM50128039 (CHEMBL66595 | {1-[(S)-4-(1-Benzylcarbamoyl-2-methy...) | PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 5.81E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research and Development Curated by ChEMBL | Assay Description Binding affinity against Beta-secretase | Bioorg Med Chem Lett 14: 4843-6 (2004) Article DOI: 10.1016/j.bmcl.2004.07.044 BindingDB Entry DOI: 10.7270/Q2M32WJX | |||||||||||
More data for this Ligand-Target Pair |