BDBM17784 2-aminoquinazoline, 2::3-[(2-amino-6-phenoxy-3,4-dihydroquinazolin-3-yl)methyl]-N-cyclohexyl-N-methylbenzamide
SMILES: CN(C1CCCCC1)C(=O)c1cccc(CN2Cc3cc(Oc4ccccc4)ccc3N=C2N)c1
InChI Key: InChIKey=FXTPEHCYBUSFBC-UHFFFAOYSA-N
Data: 1 KI
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)) | BDBM17784 (2-aminoquinazoline, 2 | 3-[(2-amino-6-phenoxy-3,4-...) | PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Patents | Article PubMed | 158 | -9.18 | n/a | n/a | n/a | n/a | n/a | 5.0 | 22 |
Johnson & Johnson Pharmaceutical | Assay Description BACE-1 activity was measured at pH 5 using the FS1 FRET substrate. Compounds were preincubated with recombinant BACE-1 for 20 min before adding subst... | J Med Chem 50: 4261-4 (2007) Article DOI: 10.1021/jm0705408 BindingDB Entry DOI: 10.7270/Q24M92T2 | |||||||||||
More data for this Ligand-Target Pair |