BDBM17786 (4S)-4-(2-amino-6-phenoxy-3,4-dihydroquinazolin-3-yl)-N,4-dicyclohexyl-N-methylbutanamide::2-aminoquinazoline, 3a

SMILES CN(C1CCCCC1)C(=O)CC[C@@H](C1CCCCC1)N1Cc2cc(Oc3ccccc3)ccc2N=C1N

InChI Key InChIKey=JKQCQYBXDQPJNC-LJAQVGFWSA-N

Data  4 KI  2 IC50

PDB links: 1 PDB ID matches this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 17786   

TargetBeta-secretase 1(Homo sapiens (Human))
Evotec

Curated by ChEMBL
LigandPNGBDBM17786((4S)-4-(2-amino-6-phenoxy-3,4-dihydroquinazolin-3-...)
Affinity DataKi:  8nMAssay Description:Inhibition of human BACE1More data for this Ligand-Target Pair
TargetBeta-secretase 1(Homo sapiens (Human))
Evotec

Curated by ChEMBL
LigandPNGBDBM17786((4S)-4-(2-amino-6-phenoxy-3,4-dihydroquinazolin-3-...)
Affinity DataKi:  11nM ΔG°:  -10.7kcal/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
TargetBeta-secretase 1(Homo sapiens (Human))
Evotec

Curated by ChEMBL
LigandPNGBDBM17786((4S)-4-(2-amino-6-phenoxy-3,4-dihydroquinazolin-3-...)
Affinity DataKi:  25nMAssay Description:Inhibition of recombinant beta-secretase 1More data for this Ligand-Target Pair
TargetPotassium voltage-gated channel subfamily H member 2(Homo sapiens (Human))
Evotec

Curated by ChEMBL
LigandPNGBDBM17786((4S)-4-(2-amino-6-phenoxy-3,4-dihydroquinazolin-3-...)
Affinity DataKi:  84nMAssay Description:Inhibition of human ERGMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCathepsin D(Homo sapiens (Human))
Johnson & Johnson Pharmaceutical

LigandPNGBDBM17786((4S)-4-(2-amino-6-phenoxy-3,4-dihydroquinazolin-3-...)
Affinity DataIC50:  110nMpH: 4.0 T: 2°CAssay Description:Cathepsin D activity was measured at pH 4 using a FRET peptide substrate. Compounds were preincubated with recombinant human liver cathepsin D for 20...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetRenin(Homo sapiens (Human))
Johnson & Johnson Pharmaceutical

LigandPNGBDBM17786((4S)-4-(2-amino-6-phenoxy-3,4-dihydroquinazolin-3-...)
Affinity DataIC50:  2.70E+3nMpH: 7.4 T: 2°CAssay Description:Renin activity was measured at pH 7.4 using a FRET peptide substrate. Compounds were added to recombinant human rennin and mixed before substrate was...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed