BDBM50226456 2-amino-3,6-dimethyl-6-phenethyl-5,6-dihydropyrimidin-4(3H)-one::CHEMBL239639
SMILES: CN1C(=O)CC(C)(CCc2ccccc2)N=C1N
InChI Key: InChIKey=NHJCZSSEYRWDOJ-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 |
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Beta-secretase 1 (Homo sapiens (Human)) | BDBM50226456 (2-amino-3,6-dimethyl-6-phenethyl-5,6-dihydropyrimi...) | PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | n/a | n/a | 3.40E+4 | 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) |