BDBM17785 2-aminoquinazoline, 3::4-(2-amino-6-phenoxy-3,4-dihydroquinazolin-3-yl)-N,4-dicyclohexyl-N-methylbutanamide

SMILES CN(C1CCCCC1)C(=O)CC[C@@H](C2CCCCC2)N3Cc4cc(ccc4N=C3N)Oc5ccccc5

InChI Key InChIKey=JKQCQYBXDQPJNC-UHFFFAOYSA-N

Data  1 KI

PDB links: 1 PDB ID matches this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 17785   

TargetBeta-secretase 1(Human)
Johnson & Johnson Pharmaceutical

LigandPNGBDBM17785(4-(2-amino-6-phenoxy-3,4-dihydroquinazolin-3-yl)-N...)
Affinity DataKi:  30nM ΔG°:  -10.2kcal/molepH: 5.0 T: 2°CAssay 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...More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/10/2007
Entry Details Article
PubMed