BDBM50303751 2-amino-4-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-1-methyl-4-(3-(pyridin-3-yl)phenyl)-1H-imidazol-5(4H)-one::CHEMBL584917
SMILES: CN1C(N)=NC(C1=O)(c1cccc(c1)-c1cccnc1)c1ccc2OCCOc2c1
InChI Key: InChIKey=ZREWWVASMZJDGY-UHFFFAOYSA-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)) | BDBM50303751 (2-amino-4-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-1-...) | PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | n/a | n/a | 860 | n/a | n/a | n/a | n/a |
Wyeth Research Curated by ChEMBL | Assay Description Inhibition of BACE1 expressed in CHOK1 cells coexpressing human recombinant wild type APP assessed as blockade of amyloid beta production by ELISA | J Med Chem 53: 1146-58 (2010) Article DOI: 10.1021/jm901414e BindingDB Entry DOI: 10.7270/Q2SX6DBS | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Beta-secretase 1 (Homo sapiens (Human)) | BDBM50303751 (2-amino-4-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-1-...) | PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 90 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research Curated by ChEMBL | Assay Description Inhibition of human BACE1 by FRET based peptide cleavage assay | J Med Chem 53: 1146-58 (2010) Article DOI: 10.1021/jm901414e BindingDB Entry DOI: 10.7270/Q2SX6DBS | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Beta-secretase 2 (Homo sapiens (Human)) | BDBM50303751 (2-amino-4-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-1-...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 500 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research Curated by ChEMBL | Assay Description Inhibition of human BACE2 by FRET based peptide cleavage assay | J Med Chem 53: 1146-58 (2010) Article DOI: 10.1021/jm901414e BindingDB Entry DOI: 10.7270/Q2SX6DBS | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cathepsin D (Homo sapiens (Human)) | BDBM50303751 (2-amino-4-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-1-...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 1.09E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research Curated by ChEMBL | Assay Description Inhibition of human cathepsin D by FRET based peptide cleavage assay | J Med Chem 53: 1146-58 (2010) Article DOI: 10.1021/jm901414e BindingDB Entry DOI: 10.7270/Q2SX6DBS | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Beta-secretase 1 (Homo sapiens (Human)) | BDBM50303751 (2-amino-4-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-1-...) | PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 90 | n/a | n/a | n/a | n/a | n/a | n/a |
Sichuan University Curated by ChEMBL | Assay Description Inhibition of human BACE1 | Eur J Med Chem 46: 58-64 (2010) Article DOI: 10.1016/j.ejmech.2010.10.014 BindingDB Entry DOI: 10.7270/Q2P55PRK | |||||||||||
More data for this Ligand-Target Pair |