BDBM15790 3-N-[(2S,3S,5R)-1-(3,5-difluorophenyl)-3-hydroxy-5-methyl-5-[(2-methylpropyl)carbamoyl]pentan-2-yl]-1-N,1-N-dipropylbenzene-1,3-dicarboxamide::CHEMBL42908::Hydroxyethylene-Based Peptidomimetic Inhibitor, 20::hydroxyethylene (HE) Inhibitor 1

SMILES CCCN(CCC)C(=O)c1cccc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@@H](O)C[C@@H](C)C(=O)NCC(C)C

InChI Key InChIKey=XVGVQHKKBOYQOC-MHWRTBLVSA-N

Data  4 IC50

  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 4 hits for monomerid = 15790   

TargetBeta-secretase 1(Homo sapiens (Human))
Elan Pharmaceuticals

LigandPNGBDBM15790(3-N-[(2S,3S,5R)-1-(3,5-difluorophenyl)-3-hydroxy-5...)
Affinity DataIC50:  30nMpH: 4.8 T: 2°CAssay Description:Beta-cleavage ELISA assays were carried out in reaction buffer containing enzyme, substrate MBP-C125, and test compounds. Generated beta-cleaved prod...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBeta-secretase 1(Homo sapiens (Human))
Elan Pharmaceuticals

LigandPNGBDBM15790(3-N-[(2S,3S,5R)-1-(3,5-difluorophenyl)-3-hydroxy-5...)
Affinity DataIC50:  30nMAssay Description:Inhibition of BACE-1 (unknown origin) using MPBC125-fused APP as substrate incubated for 1 to 2 hrs by ELISAMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBeta-secretase 1(Homo sapiens (Human))
Elan Pharmaceuticals

LigandPNGBDBM15790(3-N-[(2S,3S,5R)-1-(3,5-difluorophenyl)-3-hydroxy-5...)
Affinity DataIC50:  30nMAssay Description:Inhibition of human recombinant BACE1 by FRET assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBeta-secretase 1(Homo sapiens (Human))
Elan Pharmaceuticals

LigandPNGBDBM15790(3-N-[(2S,3S,5R)-1-(3,5-difluorophenyl)-3-hydroxy-5...)
Affinity DataIC50:  30nMpH: 4.8 T: 2°CAssay Description:Beta-cleavage ELISA assays were carried out in reaction buffer containing enzyme, substrate MBP-C125, and test compounds. Generated beta-cleaved prod...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed