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TargetBeta-secretase 1(Human)
Purdue University

Curated by ChEMBL
LigandPNGBDBM50398475(CHEMBL2179131)
Affinity DataKi:  0.0170nMAssay Description:Inhibition of recombinant BACE1 expressed in Escherichia coli using Arg- Glu(EDANS)-Glu-Val-Asn-Leu-Asp-Ala-Glu-Phe-Lys(Dabcyl)-Arg as substrate by f...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBeta-secretase 1(Human)
Purdue University

Curated by ChEMBL
LigandPNGBDBM50398472(CHEMBL2179138)
Affinity DataKi:  0.0360nMAssay Description:Inhibition of recombinant BACE1 expressed in Escherichia coli using Arg- Glu(EDANS)-Glu-Val-Asn-Leu-Asp-Ala-Glu-Phe-Lys(Dabcyl)-Arg as substrate by f...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBeta-secretase 1(Human)
Purdue University

Curated by ChEMBL
LigandPNGBDBM16254((2,5-dimethyl-1,3-oxazol-4-yl)methyl N-[(1R)-1-{[(...)
Affinity DataKi:  0.120nMAssay Description:Inhibition of recombinant memapsin 2More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBeta-secretase 1(Human)
Purdue University

Curated by ChEMBL
LigandPNGBDBM16254((2,5-dimethyl-1,3-oxazol-4-yl)methyl N-[(1R)-1-{[(...)
Affinity DataKi:  0.120nMAssay Description:Inhibition of BACE1More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBeta-secretase 1(Human)
Purdue University

Curated by ChEMBL
LigandPNGBDBM16254((2,5-dimethyl-1,3-oxazol-4-yl)methyl N-[(1R)-1-{[(...)
Affinity DataKi:  0.120nM ΔG°:  -58.9kJ/molepH: 4.5 T: 37°CAssay Description:Enzyme activities were assayed by monitoring the hydrolysis of substrate in the presence or absence of inhibitor compounds. The hydrolysis was record...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBeta-secretase 1(Human)
Purdue University

Curated by ChEMBL
LigandPNGBDBM50231938((2,5-dimethyloxazol-4-yl)methyl (R)-1-((4S,5S,7R)-...)
Affinity DataKi:  0.120nMAssay Description:Binding affinity to recombinant memapsin 2More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBeta-secretase 1(Human)
Purdue University

Curated by ChEMBL
LigandPNGBDBM210070(US9270353, 17)
Affinity DataKi:  0.130nMAssay Description:Displacement of [3H] JNJ-962 from BACE1 (unknown origin) expressed in HEK293 cell membranes assessed as inhibition constant at pH 6.2 by scintillatio...More data for this Ligand-Target Pair
TargetBeta-secretase 1(Human)
Purdue University

Curated by ChEMBL
LigandPNGBDBM50579806(CHEMBL5092328)
Affinity DataKi:  0.210nMAssay Description:Displacement of [3H]-JNJ962 from BACE1 (unknown origin) expressed in HEK293 cell membrane assessed as inhibition constant by scintillation counting a...More data for this Ligand-Target Pair
TargetBeta-secretase 1(Human)
Purdue University

Curated by ChEMBL
LigandPNGBDBM50042296(CHEMBL3352906)
Affinity DataKi:  0.25nMAssay Description:Inhibition of recombinant BACE1 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBeta-secretase 1(Human)
Purdue University

Curated by ChEMBL
LigandPNGBDBM16253((3,5-dimethyl-1H-pyrazol-1-yl)methyl N-[(1R)-1-{[(...)
Affinity DataKi:  0.300nMAssay Description:Inhibition of recombinant BACE1 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMedMMDB

TargetBeta-secretase 1(Human)
Purdue University

Curated by ChEMBL
LigandPNGBDBM50210579((2S,5S,8S,11R,13S,14S,17S,20S,23S)-23-amino-2-benz...)
Affinity DataKi:  0.300nMAssay Description:Inhibition of human recombinant BACE1 ectodomain (1 to 460 amino acids) assessed as inhibition of proteolytic cleavage of Rhodamine-EVNLDAEFK-Quenche...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMedMMDB

TargetBeta-secretase 1(Human)
Purdue University

Curated by ChEMBL
LigandPNGBDBM50155999(CHEMBL363255 | Glu-Leu-Asp-Leu-(CHOH-CH2)-Ala-Ala-...)
Affinity DataKi:  0.300nMAssay Description:Binding affinity towards Beta-secretase determined using continuum electrostatics solvationMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBeta-secretase 1(Human)
Purdue University

Curated by ChEMBL
LigandPNGBDBM16253((3,5-dimethyl-1H-pyrazol-1-yl)methyl N-[(1R)-1-{[(...)
Affinity DataKi:  0.300nM ΔG°:  -56.5kJ/molepH: 4.5 T: 37°CAssay Description:Enzyme activities were assayed by monitoring the hydrolysis of substrate in the presence or absence of inhibitor compounds. The hydrolysis was record...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMedMMDB

TargetBeta-secretase 1(Human)
Purdue University

Curated by ChEMBL
LigandPNGBDBM16253((3,5-dimethyl-1H-pyrazol-1-yl)methyl N-[(1R)-1-{[(...)
Affinity DataKi:  0.300nMAssay Description:Inhibition of recombinant memapsin 2More data for this Ligand-Target Pair
In DepthDetails ArticlePubMedMMDB

TargetBeta-secretase 1(Human)
Purdue University

Curated by ChEMBL
LigandPNGBDBM50210579((2S,5S,8S,11R,13S,14S,17S,20S,23S)-23-amino-2-benz...)
Affinity DataKi:  0.310nMAssay Description:Inhibition of active BACE1 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMedMMDB

TargetBeta-secretase 1(Human)
Purdue University

Curated by ChEMBL
LigandPNGBDBM50128034(4-[2-(5-{2-[2-(2-Amino-4-carboxy-butyrylamino)-4-m...)
Affinity DataKi:  0.320nMAssay Description:Binding affinity for human brain memapsin 2 beta-Secretase (BACE)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBeta-secretase 1(Human)
Purdue University

Curated by ChEMBL
LigandPNGBDBM50152290((2R,5S)-5-[(S)-2-((2R,4S,5S)-5-{(S)-2-[(S)-2-((S)-...)
Affinity DataKi:  0.320nMAssay Description:Binding affinity against Beta-secretaseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBeta-secretase 1(Human)
Purdue University

Curated by ChEMBL
LigandPNGBDBM50505569(CHEMBL4557670)
Affinity DataKi:  0.340nMAssay Description:Displacement of [3H] JNJ-962 from BACE1 (unknown origin) expressed in HEK293 cell membranes assessed as inhibition constant at pH 6.2 by scintillatio...More data for this Ligand-Target Pair
TargetBeta-secretase 1(Human)
Purdue University

Curated by ChEMBL
LigandPNGBDBM50580216(MK-8931 | SCH 900931 | SCH-900931 | SCH900931 | VE...)
Affinity DataKi:  0.400nMAssay Description:Displacement of [3H] JNJ-962 from BACE1 (unknown origin) expressed in HEK293 cell membranes assessed as inhibition constant at pH 6.2 by scintillatio...More data for this Ligand-Target Pair
TargetBeta-secretase 1(Human)
Purdue University

Curated by ChEMBL
LigandPNGBDBM50398473(CHEMBL2179137)
Affinity DataKi:  0.400nMAssay Description:Inhibition of recombinant BACE1 expressed in Escherichia coli using Arg- Glu(EDANS)-Glu-Val-Asn-Leu-Asp-Ala-Glu-Phe-Lys(Dabcyl)-Arg as substrate by f...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBeta-secretase 1(Human)
Purdue University

Curated by ChEMBL
LigandPNGBDBM50398471(CHEMBL2179140)
Affinity DataKi:  0.470nMAssay Description:Inhibition of recombinant BACE1 expressed in Escherichia coli using Arg- Glu(EDANS)-Glu-Val-Asn-Leu-Asp-Ala-Glu-Phe-Lys(Dabcyl)-Arg as substrate by f...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBeta-secretase 1(Human)
Purdue University

Curated by ChEMBL
LigandPNGBDBM258899(US9499502, 9)
Affinity DataKi: <0.5nM ΔG°: <-54.0kJ/molepH: 5.0 T: 30°CAssay Description:A homogeneous time-resolved FRET assay can be used to determine IC50 values for inhibitors of the soluble human BACE1 catalytic domain. This assay mo...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent

TargetBeta-secretase 1(Human)
Purdue University

Curated by ChEMBL
LigandPNGBDBM242250(US9416129, 28)
Affinity DataKi:  0.5nM ΔG°:  -54.0kJ/molepH: 5.0 T: 30°CAssay Description:Varying concentrations of inhibitors at 3× the final desired concentration in a volume of 10 μl are preincubated with purified human BACE1 c...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent

TargetBeta-secretase 1(Human)
Purdue University

Curated by ChEMBL
LigandPNGBDBM258901(US9499502, 9b)
Affinity DataKi: <0.5nM ΔG°: <-54.0kJ/molepH: 5.0 T: 30°CAssay Description:A homogeneous time-resolved FRET assay can be used to determine IC50 values for inhibitors of the soluble human BACE1 catalytic domain. This assay mo...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent

TargetBeta-secretase 1(Human)
Purdue University

Curated by ChEMBL
LigandPNGBDBM258902(US9499502, 9c)
Affinity DataKi:  0.600nM ΔG°:  -53.5kJ/molepH: 5.0 T: 30°CAssay Description:A homogeneous time-resolved FRET assay can be used to determine IC50 values for inhibitors of the soluble human BACE1 catalytic domain. This assay mo...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent

TargetBeta-secretase 1(Human)
Purdue University

Curated by ChEMBL
LigandPNGBDBM258897(US9499502, 7)
Affinity DataKi:  0.600nM ΔG°:  -53.5kJ/molepH: 5.0 T: 30°CAssay Description:A homogeneous time-resolved FRET assay can be used to determine IC50 values for inhibitors of the soluble human BACE1 catalytic domain. This assay mo...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent

TargetBeta-secretase 1(Human)
Purdue University

Curated by ChEMBL
LigandPNGBDBM258909(US9499502, 9j)
Affinity DataKi:  0.600nM ΔG°:  -53.5kJ/molepH: 5.0 T: 30°CAssay Description:A homogeneous time-resolved FRET assay can be used to determine IC50 values for inhibitors of the soluble human BACE1 catalytic domain. This assay mo...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent

TargetBeta-secretase 1(Human)
Purdue University

Curated by ChEMBL
LigandPNGBDBM335454((3R,6S)-5-amino-3-(5-((2-(but- 2-yn-1-yloxy)pyrido...)
Affinity DataKi:  0.650nMAssay Description:The compounds of the invention were determined to be potent inhibitors of BACE-1 using the following assay.The following reagents were used in this a...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent

TargetBeta-secretase 1(Human)
Purdue University

Curated by ChEMBL
LigandPNGBDBM50580217(CHEMBL5093195)
Affinity DataKi:  0.690nMAssay Description:Binding affinity to BACE1 (unknown origin)More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetBeta-secretase 1(Human)
Purdue University

Curated by ChEMBL
LigandPNGBDBM258896(US9499502, 6)
Affinity DataKi:  0.700nM ΔG°:  -53.1kJ/molepH: 5.0 T: 30°CAssay Description:A homogeneous time-resolved FRET assay can be used to determine IC50 values for inhibitors of the soluble human BACE1 catalytic domain. This assay mo...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent

TargetBeta-secretase 1(Human)
Purdue University

Curated by ChEMBL
LigandPNGBDBM50468040(CHEMBL4289763)
Affinity DataKi:  0.700nMAssay Description:Inhibition of recombinant human BACE1 expressed in HEK293 cellsMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetBeta-secretase 1(Human)
Purdue University

Curated by ChEMBL
LigandPNGBDBM50468037(CHEMBL4293298)
Affinity DataKi:  0.700nMAssay Description:Inhibition of recombinant human BACE1 expressed in HEK293 cellsMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetBeta-secretase 1(Human)
Purdue University

Curated by ChEMBL
LigandPNGBDBM258893(US9499502, 3)
Affinity DataKi:  0.700nM ΔG°:  -53.1kJ/molepH: 5.0 T: 30°CAssay Description:A homogeneous time-resolved FRET assay can be used to determine IC50 values for inhibitors of the soluble human BACE1 catalytic domain. This assay mo...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent

TargetBeta-secretase 1(Human)
Purdue University

Curated by ChEMBL
LigandPNGBDBM258904(US9499502, 9e)
Affinity DataKi:  0.700nM ΔG°:  -53.1kJ/molepH: 5.0 T: 30°CAssay Description:A homogeneous time-resolved FRET assay can be used to determine IC50 values for inhibitors of the soluble human BACE1 catalytic domain. This assay mo...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent

TargetBeta-secretase 1(Human)
Purdue University

Curated by ChEMBL
LigandPNGBDBM335447((3R,6S)-5-amino-3-(2-((3-(but- 2-yn-1-yloxy)-1,7-n...)
Affinity DataKi:  0.790nMAssay Description:The compounds of the invention were determined to be potent inhibitors of BACE-1 using the following assay.The following reagents were used in this a...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent

TargetBeta-secretase 1(Human)
Purdue University

Curated by ChEMBL
LigandPNGBDBM50267285(CHEMBL445804 | tert-butyl (6S,9R,11S,12S,15S,18S)-...)
Affinity DataKi:  0.800nMAssay Description:Inhibition of recombinant memapsin 2More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBeta-secretase 1(Human)
Purdue University

Curated by ChEMBL
LigandPNGBDBM50579805(CHEMBL5075689)
Affinity DataKi:  0.800nMAssay Description:Displacement of [3H] JNJ-962 from BACE1 (unknown origin) expressed in HEK293 cell membranes assessed as inhibition constant at pH 6.2 by scintillatio...More data for this Ligand-Target Pair
TargetBeta-secretase 1(Human)
Purdue University

Curated by ChEMBL
LigandPNGBDBM50317048(CHEMBL1097342 | N-((1S,2S)-3-(3,5-difluorophenyl)-...)
Affinity DataKi:  0.800nMAssay Description:Inhibition oh BACE1More data for this Ligand-Target Pair
TargetBeta-secretase 1(Human)
Purdue University

Curated by ChEMBL
LigandPNGBDBM242270(US9416129, 48)
Affinity DataKi:  0.870nM ΔG°:  -52.6kJ/molepH: 5.0 T: 30°CAssay Description:Varying concentrations of inhibitors at 3× the final desired concentration in a volume of 10 μl are preincubated with purified human BACE1 c...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent

TargetBeta-secretase 1(Human)
Purdue University

Curated by ChEMBL
LigandPNGBDBM335466((3R,6S)-5-amino-6- cyclopropyl-3-(5-fluoro-2-((3- ...)
Affinity DataKi:  0.890nMAssay Description:The compounds of the invention were determined to be potent inhibitors of BACE-1 using the following assay.The following reagents were used in this a...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent

TargetBeta-secretase 1(Human)
Purdue University

Curated by ChEMBL
LigandPNGBDBM258892(US9499502, 2)
Affinity DataKi:  0.900nM ΔG°:  -52.5kJ/molepH: 5.0 T: 30°CAssay Description:A homogeneous time-resolved FRET assay can be used to determine IC50 values for inhibitors of the soluble human BACE1 catalytic domain. This assay mo...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent

TargetBeta-secretase 1(Human)
Purdue University

Curated by ChEMBL
LigandPNGBDBM335448((3R,6S)-5-amino-3-(5-((3-(but- 2-yn-1-yloxy)-1,7-n...)
Affinity DataKi:  0.910nMAssay Description:The compounds of the invention were determined to be potent inhibitors of BACE-1 using the following assay.The following reagents were used in this a...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent

TargetBeta-secretase 1(Human)
Purdue University

Curated by ChEMBL
LigandPNGBDBM143218(US8940748, 34 | US9029362, 34 | US9687494, 34)
Affinity DataKi:  0.949nMpH: 5.01Assay Description:The protocol that was used to determine the recited values isdescribed as follows.BACE1 HTRF FRET AssayReagentsNa+-Acetate pH 5.01% Brij-35GlycerolDi...More data for this Ligand-Target Pair
In DepthDetails US Patent

TargetBeta-secretase 1(Human)
Purdue University

Curated by ChEMBL
LigandPNGBDBM143218(US8940748, 34 | US9029362, 34 | US9687494, 34)
Affinity DataKi:  0.949nM ΔG°:  -52.4kJ/molepH: 5.0 T: 30°CAssay Description:A homogeneous time-resolved FRET assay was used to determine IC50 values for inhibitors of the soluble human BACE1 catalytic domain. This assay monit...More data for this Ligand-Target Pair
In DepthDetails US Patent

TargetBeta-secretase 1(Human)
Purdue University

Curated by ChEMBL
LigandPNGBDBM50300187(CHEMBL573106 | N-[4-(1-BENZYLCARBAMOYL-2-METHYL-PR...)
Affinity DataKi: <1nMAssay Description:Inhibition of human BACE1 expressed in Escherichia coli BL21(DE3) by resolved fluorescence assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedMMDB

TargetBeta-secretase 1(Human)
Purdue University

Curated by ChEMBL
LigandPNGBDBM50317058(CHEMBL1097351 | N-((1S,2S)-1-((R)-4-(5-chlorothiop...)
Affinity DataKi:  1nMAssay Description:Inhibition oh BACE1More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBeta-secretase 1(Human)
Purdue University

Curated by ChEMBL
LigandPNGBDBM50317056(CHEMBL1097349 | N-((1S,2S)-1-((R)-4-(3-chloropheny...)
Affinity DataKi:  1nMAssay Description:Inhibition oh BACE1More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBeta-secretase 1(Human)
Purdue University

Curated by ChEMBL
LigandPNGBDBM50317055(CHEMBL1097348 | N-((1S,2S)-3-(3,5-difluorophenyl)-...)
Affinity DataKi:  1nMAssay Description:Inhibition oh BACE1More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBeta-secretase 1(Human)
Purdue University

Curated by ChEMBL
LigandPNGBDBM50398683(CHEMBL2178147)
Affinity DataKi:  1nMAssay Description:Inhibition of BACE1More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBeta-secretase 1(Human)
Purdue University

Curated by ChEMBL
LigandPNGBDBM50398688(CHEMBL2178715)
Affinity DataKi:  1nMAssay Description:Inhibition of BACE1More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
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