BDBM16689 1,3,5-trisubstituted aromatic scaffold, 2a::1-N-[(1R)-1-(4-fluorophenyl)ethyl]-3-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-5-(N-methylmethanesulfonamido)benzene-1,3-dicarboxamide::CHEMBL380257

SMILES C[C@@H](NC(=O)c1cc(cc(c1)C(=O)N[C@H](CO)Cc1ccccc1)N(C)S(C)(=O)=O)c1ccc(F)cc1

InChI Key InChIKey=BDWVOWRQSIGIGX-KOSHJBKYSA-N

Data  3 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 3 hits for monomerid = 16689   

TargetBeta-secretase 1(Homo sapiens (Human))
Merck Research Laboratories

LigandPNGBDBM16689(1,3,5-trisubstituted aromatic scaffold, 2a | 1-N-[...)
Affinity DataIC50:  630nMpH: 4.5 T: 2°CAssay Description:The assay was performed using a 96-well format on a HPLC equipped with four 96-well plate holders. Test compounds were preincubated with enzymes for ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBeta-secretase 1(Homo sapiens (Human))
Merck Research Laboratories

LigandPNGBDBM16689(1,3,5-trisubstituted aromatic scaffold, 2a | 1-N-[...)
Affinity DataIC50:  462nMAssay Description:Inhibition of human recombinant C-terminal histidine-tagged BACE1 expressed in baculovirus-infected insect cells by FRET assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBeta-secretase 1(Homo sapiens (Human))
Merck Research Laboratories

LigandPNGBDBM16689(1,3,5-trisubstituted aromatic scaffold, 2a | 1-N-[...)
Affinity DataIC50: <1.00E+3nMAssay Description:Inhibition of BACE1 in HEK293 cells transfected with human betaAPP695 mutant assessed as inhibition of amyloid beta (1 to 40) production after 24 hrs...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed