BDBM29752 macrocyclic peptidomimetic, 3f
SMILES: CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H]1C[C@H](C)CCCCCCCCCC(=O)N[C@@H](C)C(=O)N1
InChI Key: InChIKey=BAQVKFUOCGTGBI-VROINQGHSA-N
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)) | BDBM29752 (macrocyclic peptidomimetic, 3f) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | n/a | n/a | n/a | n/a | n/a | 3.1 | 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 | |||||||||||||
beta-Secretase (BACE-1) (Homo sapiens (Human)) | BDBM29752 (macrocyclic peptidomimetic, 3f) | PDB MMDB KEGG B.MOAD DrugBank GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 2.10E+3 | 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 |