BDBM50226448 (6R)-2-amino-6-[2-(3'-methoxybiphenyl-3-yl)ethyl]-3,6-dimethyl-5,6-dihydropyrimidin-4(3H)-one::(R)-2-amino-6-[2-(3'-methoxybiphenyl-3-yl)ethyl]-3,6-dimethyl-5,6-dihydro-3H-pyrimidin-4-one::CHEMBL239857
SMILES: COc1cccc(c1)-c1cccc(CC[C@]2(C)CC(=O)N(C)C(N)=N2)c1
InChI Key: InChIKey=VDFBMQAUECXNKR-OAQYLSRUSA-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)) | BDBM50226448 ((6R)-2-amino-6-[2-(3'-methoxybiphenyl-3-yl)ethyl]-...) | PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet | CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Similars | MMDB PDB Article PubMed | n/a | n/a | 80 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca Pharmaceuticals LP Curated by ChEMBL | Assay Description Inhibition of BACE1 by FRET assay | J Med Chem 50: 5912-25 (2007) Article DOI: 10.1021/jm070829p BindingDB Entry DOI: 10.7270/Q2B27V0D | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Beta-secretase 1 (Homo sapiens (Human)) | BDBM50226448 ((6R)-2-amino-6-[2-(3'-methoxybiphenyl-3-yl)ethyl]-...) | PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet | CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Similars | MMDB PDB Article PubMed | n/a | n/a | 160 | n/a | n/a | n/a | n/a | n/a | n/a |
Hokkaido University Curated by ChEMBL | Assay Description Inhibition of human recombinant BACE1 expressed in Escherichia coli BL21(DE3) using Biotin-XSEVNLDAEFRHDSGC-Eu as substrate after 1 hr by fluorescenc... | Bioorg Med Chem 21: 6506-22 (2013) Article DOI: 10.1016/j.bmc.2013.08.036 BindingDB Entry DOI: 10.7270/Q25H7K6Q | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Beta-secretase 1 (Homo sapiens (Human)) | BDBM50226448 ((6R)-2-amino-6-[2-(3'-methoxybiphenyl-3-yl)ethyl]-...) | PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet | CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Similars | MMDB PDB Article PubMed | n/a | n/a | 470 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca Pharmaceuticals LP Curated by ChEMBL | Assay Description Inhibition of human full length BACE1 expressed in HEK293 cells | J Med Chem 50: 5912-25 (2007) Article DOI: 10.1021/jm070829p BindingDB Entry DOI: 10.7270/Q2B27V0D | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) |