Compile Data Set for Download or QSAR
maximum 50k data
Found 37 Enz. Inhib. hit(s) with all data for entry = 50020286
TargetBeta-secretase 1(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50212194(CHEMBL250295 | N-((5R,14R)-5-amino-5-methyl-4,16-d...)
Affinity DataIC50:  1nMAssay Description:Inhibition of BACE1More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBeta-secretase 1(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50212180(CHEMBL400530 | N-((5R,14R)-5-amino-5-methyl-4,16-d...)
Affinity DataIC50:  2nMAssay Description:Inhibition of BACE1More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBeta-secretase 1(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50212174(CHEMBL400438 | N-((5R,14R)-5-amino-5-methyl-4,16-d...)
Affinity DataIC50:  2nMAssay Description:Inhibition of BACE1More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBeta-secretase 1(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50212196((5R,14R)-5-amino-19-[(dimethylsulfamoyl)(methyl)am...)
Affinity DataIC50:  4nMAssay Description:Inhibition of BACE1More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBeta-secretase 1(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50212180(CHEMBL400530 | N-((5R,14R)-5-amino-5-methyl-4,16-d...)
Affinity DataIC50:  5nMAssay Description:Inhibition of BACE1-mediated sAPP-NF processing in HEK293 cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBeta-secretase 1(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50212197(CHEMBL429666 | N-[(5R,14R)-5-amino-14-(4-fluoro-ph...)
Affinity DataIC50:  10nMAssay Description:Inhibition of BACE1More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBeta-secretase 1(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50212193(CHEMBL248884 | N-((5R,14R)-5-amino-5-methyl-16-oxo...)
Affinity DataIC50:  12nMAssay Description:Inhibition of BACE1More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBeta-secretase 1(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50212183(2,2,2-trifluoro-ethanesulfonic acid ((5R,14R)-5-am...)
Affinity DataIC50:  16nMAssay Description:Inhibition of BACE1More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBeta-secretase 1(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50212178(CHEMBL248699 | N-((5R,14R)-5-amino-5-methyl-16-oxo...)
Affinity DataIC50:  17nMAssay Description:Inhibition of BACE1More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBeta-secretase 1(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50212192(2-[(5R,14R)-5-amino-14-(4-fluoro-phenyl)-5-methyl-...)
Affinity DataIC50:  22nMAssay Description:Inhibition of BACE1More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBeta-secretase 1(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50212178(CHEMBL248699 | N-((5R,14R)-5-amino-5-methyl-16-oxo...)
Affinity DataIC50:  23nMAssay Description:Inhibition of BACE1-mediated sAPP-NF processing in HEK293 cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBeta-secretase 1(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50212189(2-((5R,14R)-5-amino-5-methyl-4,16-dioxo-14-phenyl-...)
Affinity DataIC50:  27nMAssay Description:Inhibition of BACE1More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBeta-secretase 1(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50212195(CHEMBL250918 | N-((5R,14R)-5-amino-5-methyl-4,16-d...)
Affinity DataIC50:  38nMAssay Description:Inhibition of BACE1More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBeta-secretase 1(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50212190(2-[(5R,14R)-5-amino-10-fluoro-14-(4-fluoro-phenyl)...)
Affinity DataIC50:  46nMAssay Description:Inhibition of BACE1More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBeta-secretase 1(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50212175(2-[(5R,14R)-5-amino-10-fluoro-14-(4-fluoro-phenyl)...)
Affinity DataIC50:  46nMAssay Description:Inhibition of BACE1More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBeta-secretase 1(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50212186(CHEMBL250120 | N-((5R,14R)-5-amino-5-methyl-16-oxo...)
Affinity DataIC50:  49nMAssay Description:Inhibition of BACE1More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBeta-secretase 1(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50212185(CHEMBL248876 | N-((5R,14R)-5-amino-14-ethynyl-5-me...)
Affinity DataIC50:  53nMAssay Description:Inhibition of BACE1More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBeta-secretase 1(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50212188(CHEMBL438691 | ethanesulfonic acid ((5R,14R)-5-ami...)
Affinity DataIC50:  56nMAssay Description:Inhibition of BACE1More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBeta-secretase 1(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50212189(2-((5R,14R)-5-amino-5-methyl-4,16-dioxo-14-phenyl-...)
Affinity DataIC50:  68nMAssay Description:Inhibition of BACE1-mediated sAPP-NF processing in HEK293 cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBeta-secretase 1(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50212198(2-[(5R,14R)-5-amino-22-fluoro-14-(4-fluoro-phenyl)...)
Affinity DataIC50:  78nMAssay Description:Inhibition of BACE1More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBeta-secretase 1(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50212187(CHEMBL399276 | N-((5R,14S)-5-amino-14-ethyl-5-meth...)
Affinity DataIC50:  85nMAssay Description:Inhibition of BACE1More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBeta-secretase 1(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50212182(2-[(5R,14R)-5-amino-9-fluoro-14-(4-fluoro-phenyl)-...)
Affinity DataIC50:  130nMAssay Description:Inhibition of BACE1More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBeta-secretase 1(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50212191(CHEMBL250712 | N-((5R,14R)-5-amino-14-isopropyl-5-...)
Affinity DataIC50:  175nMAssay Description:Inhibition of BACE1More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBeta-secretase 1(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50212184(CHEMBL251533 | propane-2-sulfonic acid ((5R,14R)-5...)
Affinity DataIC50:  196nMAssay Description:Inhibition of BACE1More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBeta-secretase 1(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50212179((5R,14R)-5-amino-19-bromo-5-methyl-14-phenyl-3-oxa...)
Affinity DataIC50:  270nMAssay Description:Inhibition of BACE1More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBeta-secretase 1(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50212176(CHEMBL399776 | N-((5R,14S)-5-amino-5,14-dimethyl-1...)
Affinity DataIC50:  290nMAssay Description:Inhibition of BACE1More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBeta-secretase 1(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50212177((5R,14R)-5-amino-5-methyl-19-oxazol-2-yl-14-phenyl...)
Affinity DataIC50:  780nMAssay Description:Inhibition of BACE1More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBeta-secretase 1(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50212181(CHEMBL398839 | N-((5R,14R)-5-amino-14-cyclopropyl-...)
Affinity DataIC50:  1.10E+3nMAssay Description:Inhibition of BACE1More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBeta-secretase 2(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50212178(CHEMBL248699 | N-((5R,14R)-5-amino-5-methyl-16-oxo...)
Affinity DataIC50:  1.60E+3nMAssay Description:Inhibition of BACE2More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBeta-secretase 2(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50212189(2-((5R,14R)-5-amino-5-methyl-4,16-dioxo-14-phenyl-...)
Affinity DataIC50:  4.10E+4nMAssay Description:Inhibition of BACE2More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCathepsin D(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50212189(2-((5R,14R)-5-amino-5-methyl-4,16-dioxo-14-phenyl-...)
Affinity DataIC50:  4.80E+4nMAssay Description:Inhibition of cathepsin DMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBeta-secretase 2(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50212180(CHEMBL400530 | N-((5R,14R)-5-amino-5-methyl-4,16-d...)
Affinity DataIC50:  5.40E+4nMAssay Description:Inhibition of BACE2More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCathepsin D(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50212180(CHEMBL400530 | N-((5R,14R)-5-amino-5-methyl-4,16-d...)
Affinity DataIC50:  9.70E+4nMAssay Description:Inhibition of cathepsin DMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetRenin(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50212178(CHEMBL248699 | N-((5R,14R)-5-amino-5-methyl-16-oxo...)
Affinity DataIC50:  1.44E+5nMAssay Description:Inhibition of reninMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetRenin(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50212180(CHEMBL400530 | N-((5R,14R)-5-amino-5-methyl-4,16-d...)
Affinity DataIC50:  1.69E+5nMAssay Description:Inhibition of reninMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetRenin(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50212189(2-((5R,14R)-5-amino-5-methyl-4,16-dioxo-14-phenyl-...)
Affinity DataIC50:  2.75E+5nMAssay Description:Inhibition of reninMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCathepsin D(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50212178(CHEMBL248699 | N-((5R,14R)-5-amino-5-methyl-16-oxo...)
Affinity DataIC50:  2.75E+5nMAssay Description:Inhibition of cathepsin DMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed