Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kJ/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Beta-secretase 1 [1-453] (400/400 = 100%)† (Homo sapiens (Human)) | BDBM29748 (NVP-ARV99 | macrocyclic peptidomimetic, 3b) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | MMDB PC cid PC sid PDB UniChem Similars | MMDB PDB Article PubMed | n/a | n/a | 590 | n/a | n/a | n/a | n/a | 4.5 | 22 |
Novartis | Assay Description Inhibition assays were done in black 96-well plates by adding test compounds to the respective enzyme in assay buffer. Plates were incubated at room ... | Bioorg Med Chem Lett 19: 1361-5 (2009) Article DOI: 10.1016/j.bmcl.2009.01.036 BindingDB Entry DOI: 10.7270/Q2JS9NS3 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Beta-secretase 1 (400/400 = 100%)† (Homo sapiens (Human)) | BDBM29748 (NVP-ARV99 | macrocyclic peptidomimetic, 3b) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | MMDB PC cid PC sid PDB UniChem Similars | MMDB PDB Article PubMed | n/a | n/a | 590 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research Curated by ChEMBL | Assay Description Inhibition of BACE1 | Bioorg Med Chem Lett 19: 1366-70 (2009) Article DOI: 10.1016/j.bmcl.2009.01.055 BindingDB Entry DOI: 10.7270/Q2SB45S3 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Beta-secretase 1 (400/400 = 100%)† (Homo sapiens (Human)) | BDBM29748 (NVP-ARV99 | macrocyclic peptidomimetic, 3b) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | MMDB PC cid PC sid PDB UniChem Similars | MMDB PDB Article PubMed | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research Curated by ChEMBL | Assay Description Inhibition of BACE1 expressed in CHO cells expressing human recombinant APP assessed as amyloid beta40 aggregation | Bioorg Med Chem Lett 19: 1366-70 (2009) Article DOI: 10.1016/j.bmcl.2009.01.055 BindingDB Entry DOI: 10.7270/Q2SB45S3 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) |