BDBM29768 hydroxyethylamine derivative, 22
SMILES: CCc1ccnc2c(cc(cc12)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cccc(c1)C(F)(F)F)N1CCCC1=O
InChI Key: InChIKey=YDNCUOPJVVQEMT-MFMCTBQISA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Beta-secretase 1 (Homo sapiens (Human)) | BDBM29768 (hydroxyethylamine derivative, 22) | PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet | PC cid PC sid PDB UniChem Similars | PDB Article PubMed | n/a | n/a | 210 | n/a | n/a | n/a | n/a | 4.5 | 22 |
GSK | Assay Description Enzyme activity and inhibition were assayed using a fluorescent FAM-[SEVNLDAEFK]-TAMRA substrate. Control reactions with no enzyme were included in e... | Bioorg Med Chem Lett 19: 3664-8 (2009) Article DOI: 10.1016/j.bmcl.2009.03.165 BindingDB Entry DOI: 10.7270/Q2F18X23 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Cathepsin D (Homo sapiens (Human)) | BDBM29768 (hydroxyethylamine derivative, 22) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid PDB UniChem Similars | Article PubMed | n/a | n/a | 1.44E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
GSK | Assay Description Enzyme activity and inhibition were assayed using a fluorescent FAM-[SEVNLDAEFK]-TAMRA substrate. Control reactions with no enzyme were included in e... | Bioorg Med Chem Lett 19: 3664-8 (2009) Article DOI: 10.1016/j.bmcl.2009.03.165 BindingDB Entry DOI: 10.7270/Q2F18X23 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Beta-secretase 2 (Homo sapiens (Human)) | BDBM29768 (hydroxyethylamine derivative, 22) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | PC cid PC sid PDB UniChem Similars | Article PubMed | n/a | n/a | 1.32E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
GSK | Assay Description Enzyme activity and inhibition were assayed using a fluorescent FAM-[SEVNLDAEFK]-TAMRA substrate. Control reactions with no enzyme were included in e... | Bioorg Med Chem Lett 19: 3664-8 (2009) Article DOI: 10.1016/j.bmcl.2009.03.165 BindingDB Entry DOI: 10.7270/Q2F18X23 | |||||||||||
More data for this Ligand-Target Pair |