BDBM50310162 (5S)-2-amino-5-(2,6-diethylpyridin-4-yl)-3-methyl-5-(3-pyrimidin-5-ylphenyl)-3,5-dihydro-4H-imidazol-4-one::(S)-2-amino-4-(2,6-diethylpyridin-4-yl)-1-methyl-4-(3-(pyrimidin-5-yl)phenyl)-1H-imidazol-5(4H)-one::CHEMBL590730
SMILES: CCc1cc(cc(CC)n1)[C@@]1(N=C(N)N(C)C1=O)c1cccc(c1)-c1cncnc1
InChI Key: InChIKey=QQPRKWVAAAEILV-QHCPKHFHSA-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)) | BDBM50310162 ((5S)-2-amino-5-(2,6-diethylpyridin-4-yl)-3-methyl-...) | 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 | 30 | 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 assay | Bioorg Med Chem 18: 630-9 (2010) Article DOI: 10.1016/j.bmc.2009.12.007 BindingDB Entry DOI: 10.7270/Q2DV1KT4 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) |