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 (402/404 > 99%)† (Homo sapiens (Human)) | BDBM16041 (3-{5-[(1R)-1-amino-1-methyl-2-phenylethyl]-1,3,4-o...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars | MMDB PDB Article PubMed | n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories Curated by ChEMBL | Assay Description Inhibition of BACE1 | Bioorg Med Chem Lett 17: 5831-5 (2007) Article DOI: 10.1016/j.bmcl.2007.08.040 BindingDB Entry DOI: 10.7270/Q2QV3M7G | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Beta-secretase 1 (402/404 > 99%)† (Homo sapiens (Human)) | BDBM16041 (3-{5-[(1R)-1-amino-1-methyl-2-phenylethyl]-1,3,4-o...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars | MMDB PDB Article PubMed | n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories Curated by ChEMBL | Assay Description Inhibition of BACE1 | Bioorg Med Chem Lett 20: 1885-9 (2010) Article DOI: 10.1016/j.bmcl.2010.01.137 BindingDB Entry DOI: 10.7270/Q21Z44JX | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Beta-secretase 1 (402/404 > 99%)† (Homo sapiens (Human)) | BDBM16041 (3-{5-[(1R)-1-amino-1-methyl-2-phenylethyl]-1,3,4-o...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars | MMDB PDB Article PubMed | n/a | n/a | 12 | n/a | n/a | n/a | n/a | 4.5 | 37 |
Merck Research Laboratories | Assay Description For BACE activity assay using recombinant MBP-APP_NFEV substrate, BACE was incubated with purified MBP-APP_NFEV substrate in reaction buffer containi... | J Med Chem 49: 7270-3 (2006) Article DOI: 10.1021/jm061046r BindingDB Entry DOI: 10.7270/Q2513WGP | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Beta-secretase 1 (402/404 > 99%)† (Homo sapiens (Human)) | BDBM16041 (3-{5-[(1R)-1-amino-1-methyl-2-phenylethyl]-1,3,4-o...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars | MMDB PDB Article PubMed | n/a | n/a | 60 | n/a | n/a | n/a | n/a | 7.2 | n/a |
Merck Research Laboratories Curated by ChEMBL | Assay Description Inhibition of human BACE1 expressed in mouse fibroblast cells assessed as inhibition of secreted APPbeta-NF production at pH 7.2 | Bioorg Med Chem Lett 20: 1885-9 (2010) Article DOI: 10.1016/j.bmcl.2010.01.137 BindingDB Entry DOI: 10.7270/Q21Z44JX | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) |