null
SMILES: C[C@@H](NC(=O)c1cc(cc(c1)C(=O)N[C@H](CO)Cc1ccccc1)N(C)S(C)(=O)=O)c1ccc(F)cc1
InChI Key: InChIKey=BDWVOWRQSIGIGX-KOSHJBKYSA-N
PDB links: 1 PDB ID contains this monomer as substructures. 1 PDB ID contains inhibitors having a similarity of 90% to this monomer.
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)) | BDBM16689![]() (1,3,5-trisubstituted aromatic scaffold, 2a | 1-N-[...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet ![]() | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 630 | n/a | n/a | n/a | n/a | 4.5 | 22 |
Merck Research Laboratories | Assay Description The assay was performed using a 96-well format on a HPLC equipped with four 96-well plate holders. Test compounds were preincubated with enzymes for ... | Bioorg Med Chem Lett 16: 3635-8 (2006) Article DOI: 10.1016/j.bmcl.2006.04.076 BindingDB Entry DOI: 10.7270/Q27P8WN0 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Beta-secretase 1 (Homo sapiens (Human)) | BDBM16689![]() (1,3,5-trisubstituted aromatic scaffold, 2a | 1-N-[...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet ![]() | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 462 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences Curated by ChEMBL | Assay Description Inhibition of human recombinant C-terminal histidine-tagged BACE1 expressed in baculovirus-infected insect cells by FRET assay | Bioorg Med Chem 17: 1600-13 (2009) Article DOI: 10.1016/j.bmc.2008.12.067 BindingDB Entry DOI: 10.7270/Q24J0F0R | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Beta-secretase 1 (Homo sapiens (Human)) | BDBM16689![]() (1,3,5-trisubstituted aromatic scaffold, 2a | 1-N-[...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet ![]() | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | <1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences Curated by ChEMBL | Assay Description Inhibition of BACE1 in HEK293 cells transfected with human betaAPP695 mutant assessed as inhibition of amyloid beta (1 to 40) production after 24 hrs... | Bioorg Med Chem 17: 1600-13 (2009) Article DOI: 10.1016/j.bmc.2008.12.067 BindingDB Entry DOI: 10.7270/Q24J0F0R | |||||||||||
More data for this Ligand-Target Pair |