Compile Data Set for Download or QSAR
maximum 50k data
Found 93 with Last Name = 'koelsch' and Initial = 'g'
TargetBeta-secretase 1(Homo sapiens (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(Homo sapiens (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: 2°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(Homo sapiens (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(Homo sapiens (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
TargetBeta-secretase 1(Homo sapiens (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: 2°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
TargetBeta-secretase 1(Homo sapiens (Human))
Purdue University

Curated by ChEMBL
LigandPNGBDBM16259(1-N-[(1R,3S,4S)-3-hydroxy-1,6-dimethyl-1-{[(1S)-2-...)
Affinity DataKi:  1.10nM ΔG°:  -53.2kJ/molepH: 4.5 T: 2°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
TargetBeta-secretase 2(Homo sapiens (Human))
Purdue University

LigandPNGBDBM16250(CHEMBL290001 | N-(tert-butoxycarbonyl)-L-valyl-N-[...)
Affinity DataKi:  1.20nM ΔG°:  -53.0kJ/molepH: 4.5 T: 2°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
TargetCathepsin D(Homo sapiens (Human))
Purdue University

Curated by ChEMBL
LigandPNGBDBM50042296(CHEMBL3352906)
Affinity DataKi:  1.30nMAssay Description:Inhibition of Cathepsin D (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBeta-secretase 1(Homo sapiens (Human))
Purdue University

Curated by ChEMBL
LigandPNGBDBM16047((4S)-4-[(2S)-2-[(2R,4S,5S)-5-[(2S)-2-[(2S)-2-[(4S)...)
Affinity DataKi:  1.60nMAssay Description:Binding affinity to recombinant memapsin 2More data for this Ligand-Target Pair
TargetBeta-secretase 1(Homo sapiens (Human))
Purdue University

Curated by ChEMBL
LigandPNGBDBM50042285(CHEMBL3361302)
Affinity DataKi:  1.60nMAssay Description:Inhibition of recombinant BACE1 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBeta-secretase 1(Homo sapiens (Human))
Purdue University

Curated by ChEMBL
LigandPNGBDBM16047((4S)-4-[(2S)-2-[(2R,4S,5S)-5-[(2S)-2-[(2S)-2-[(4S)...)
Affinity DataKi:  1.60nM ΔG°:  -52.2kJ/molepH: 4.5 T: 2°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
TargetBeta-secretase 1(Homo sapiens (Human))
Purdue University

Curated by ChEMBL
LigandPNGBDBM16047((4S)-4-[(2S)-2-[(2R,4S,5S)-5-[(2S)-2-[(2S)-2-[(4S)...)
Affinity DataKi:  1.60nM ΔG°:  -52.2kJ/molepH: 4.5 T: 2°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
TargetBeta-secretase 1(Homo sapiens (Human))
Purdue University

Curated by ChEMBL
LigandPNGBDBM16257(1-N-[(2,5-dimethyl-1,3-oxazol-4-yl)methyl]-3-N-[(1...)
Affinity DataKi:  1.80nM ΔG°:  -51.9kJ/molepH: 4.5 T: 2°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(Homo sapiens (Human))
Purdue University

Curated by ChEMBL
LigandPNGBDBM50231937(CHEMBL403268 | N-{(1S,2R)-1-benzyl-2-hydroxy-3-[(3...)
Affinity DataKi:  1.80nMAssay Description:Binding affinity to recombinant memapsin 2More data for this Ligand-Target Pair
TargetBeta-secretase 1(Homo sapiens (Human))
Purdue University

Curated by ChEMBL
LigandPNGBDBM16250(CHEMBL290001 | N-(tert-butoxycarbonyl)-L-valyl-N-[...)
Affinity DataKi:  2.5nM ΔG°:  -51.1kJ/molepH: 4.5 T: 2°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(Homo sapiens (Human))
Purdue University

Curated by ChEMBL
LigandPNGBDBM16250(CHEMBL290001 | N-(tert-butoxycarbonyl)-L-valyl-N-[...)
Affinity DataKi:  2.5nM ΔG°:  -51.1kJ/molepH: 4.5 T: 2°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(Homo sapiens (Human))
Purdue University

Curated by ChEMBL
LigandPNGBDBM16252((3,5-dimethyl-1H-pyrazol-1-yl)methyl N-[(1R)-1-{[(...)
Affinity DataKi:  4.40nM ΔG°:  -49.6kJ/molepH: 4.5 T: 2°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(Homo sapiens (Human))
Purdue University

Curated by ChEMBL
LigandPNGBDBM16777(Substrate-based BACE-1 inhibitor, 16 | tert-butyl ...)
Affinity DataKi:  5.90nM ΔG°:  -48.9kJ/molepH: 4.5 T: 2°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(Homo sapiens (Human))
Purdue University

Curated by ChEMBL
LigandPNGBDBM16781(Substrate-based BACE-1 inhibitor, 23 | tert-butyl ...)
Affinity DataKi:  8nM ΔG°:  -48.1kJ/molepH: 4.5 T: 2°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(Homo sapiens (Human))
Purdue University

Curated by ChEMBL
LigandPNGBDBM16779(Substrate-based BACE-1 inhibitor, 18 | tert-butyl ...)
Affinity DataKi:  9.40nM ΔG°:  -47.7kJ/molepH: 4.5 T: 2°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(Homo sapiens (Human))
Purdue University

Curated by ChEMBL
LigandPNGBDBM50042297(CHEMBL3361313)
Affinity DataKi:  11nMAssay Description:Inhibition of recombinant BACE1 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBeta-secretase 1(Homo sapiens (Human))
Purdue University

Curated by ChEMBL
LigandPNGBDBM16251((3,5-dimethyl-1H-pyrazol-1-yl)methyl N-[(1S)-1-{[(...)
Affinity DataKi:  14nM ΔG°:  -46.6kJ/molepH: 4.5 T: 2°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(Homo sapiens (Human))
Purdue University

Curated by ChEMBL
LigandPNGBDBM16270((2R,4S,5S)-N-[(1S)-1-(benzylcarbamoyl)-2-methylpro...)
Affinity DataKi:  14.2nM ΔG°:  -46.6kJ/molepH: 4.5 T: 2°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
TargetCathepsin D(Homo sapiens (Human))
Purdue University

Curated by ChEMBL
LigandPNGBDBM16252((3,5-dimethyl-1H-pyrazol-1-yl)methyl N-[(1R)-1-{[(...)
Affinity DataKi:  15nM ΔG°:  -46.5kJ/molepH: 4.5 T: 2°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(Homo sapiens (Human))
Purdue University

Curated by ChEMBL
LigandPNGBDBM50042295(CHEMBL3361312)
Affinity DataKi:  17nMAssay Description:Inhibition of recombinant BACE1 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCathepsin D(Homo sapiens (Human))
Purdue University

Curated by ChEMBL
LigandPNGBDBM16251((3,5-dimethyl-1H-pyrazol-1-yl)methyl N-[(1S)-1-{[(...)
Affinity DataKi:  25nM ΔG°:  -45.1kJ/molepH: 4.5 T: 2°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(Homo sapiens (Human))
Purdue University

Curated by ChEMBL
LigandPNGBDBM16271((2R,4S,5S)-N-[(1S)-1-(benzylcarbamoyl)-2-methylpro...)
Affinity DataKi:  25.1nM ΔG°:  -45.1kJ/molepH: 4.5 T: 2°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
TargetBeta-secretase 1(Homo sapiens (Human))
Purdue University

Curated by ChEMBL
LigandPNGBDBM16263(amide-urethane derived inhibitor 12a | prop-2-en-1...)
Affinity DataKi:  26.6nM ΔG°:  -45.0kJ/molepH: 4.5 T: 2°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(Homo sapiens (Human))
Purdue University

Curated by ChEMBL
LigandPNGBDBM50231932(CHEMBL253930 | N1-((2S,3R)-3-hydroxy-4-((1-(methyl...)
Affinity DataKi:  27nMAssay Description:Binding affinity to recombinant memapsin 2More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBeta-secretase 1(Homo sapiens (Human))
Purdue University

Curated by ChEMBL
LigandPNGBDBM16262(1-N-[1-(2,5-dimethyl-1,3-oxazol-4-yl)ethyl]-3-N-[(...)
Affinity DataKi:  27nM ΔG°:  -44.9kJ/molepH: 4.5 T: 2°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(Homo sapiens (Human))
Purdue University

Curated by ChEMBL
LigandPNGBDBM16267((2R,4S,5S)-N-[(1S)-1-(benzylcarbamoyl)-2-methylpro...)
Affinity DataKi:  28.4nM ΔG°:  -44.8kJ/molepH: 4.5 T: 2°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(Homo sapiens (Human))
Purdue University

Curated by ChEMBL
LigandPNGBDBM50042298(CHEMBL3361314)
Affinity DataKi:  29nMAssay Description:Inhibition of recombinant BACE1 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBeta-secretase 2(Homo sapiens (Human))
Purdue University

LigandPNGBDBM16259(1-N-[(1R,3S,4S)-3-hydroxy-1,6-dimethyl-1-{[(1S)-2-...)
Affinity DataKi:  31nM ΔG°:  -44.6kJ/molepH: 4.5 T: 2°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(Homo sapiens (Human))
Purdue University

Curated by ChEMBL
LigandPNGBDBM50042294(CHEMBL3361311)
Affinity DataKi:  32nMAssay Description:Inhibition of recombinant BACE1 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBeta-secretase 1(Homo sapiens (Human))
Purdue University

Curated by ChEMBL
LigandPNGBDBM16772((4S)-4-[(2S)-2-[(2R,4S,5S)-5-[(2S)-2-[(2S)-2-amino...)
Affinity DataKi:  36nM ΔG°:  -44.2kJ/molepH: 4.5 T: 2°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(Homo sapiens (Human))
Purdue University

Curated by ChEMBL
LigandPNGBDBM50042286(CHEMBL3361303)
Affinity DataKi:  40nMAssay Description:Inhibition of recombinant BACE1 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCathepsin D(Homo sapiens (Human))
Purdue University

Curated by ChEMBL
LigandPNGBDBM16259(1-N-[(1R,3S,4S)-3-hydroxy-1,6-dimethyl-1-{[(1S)-2-...)
Affinity DataKi:  41nM ΔG°:  -43.9kJ/molepH: 4.5 T: 2°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(Homo sapiens (Human))
Purdue University

Curated by ChEMBL
LigandPNGBDBM16778(Substrate-based BACE-1 inhibitor, 17 | tert-butyl ...)
Affinity DataKi:  50.1nM ΔG°:  -43.3kJ/molepH: 4.5 T: 2°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(Homo sapiens (Human))
Purdue University

Curated by ChEMBL
LigandPNGBDBM16256(1-N-[(1R,3S,4S)-3-hydroxy-1,6-dimethyl-1-{[(1S)-2-...)
Affinity DataKi:  52.5nM ΔG°:  -43.2kJ/molepH: 4.5 T: 2°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(Homo sapiens (Human))
Purdue University

Curated by ChEMBL
LigandPNGBDBM16776(Substrate-based BACE-1 inhibitor, 15 | tert-butyl ...)
Affinity DataKi:  61.4nM ΔG°:  -42.8kJ/molepH: 4.5 T: 2°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(Homo sapiens (Human))
Purdue University

Curated by ChEMBL
LigandPNGBDBM16266(amide-urethane derived inhibitor 12b | but-3-en-1-...)
Affinity DataKi:  61.4nM ΔG°:  -42.8kJ/molepH: 4.5 T: 2°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(Homo sapiens (Human))
Purdue University

Curated by ChEMBL
LigandPNGBDBM50042288(CHEMBL3361305)
Affinity DataKi:  63nMAssay Description:Inhibition of recombinant BACE1 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBeta-secretase 1(Homo sapiens (Human))
Purdue University

Curated by ChEMBL
LigandPNGBDBM50042292(CHEMBL3361309)
Affinity DataKi:  64nMAssay Description:Inhibition of recombinant BACE1 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBeta-secretase 2(Homo sapiens (Human))
Purdue University

LigandPNGBDBM50042296(CHEMBL3352906)
Affinity DataKi:  71nMAssay Description:Inhibition of memapsin 1 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBeta-secretase 1(Homo sapiens (Human))
Purdue University

Curated by ChEMBL
LigandPNGBDBM16264((2R,4S,5S)-N-[(1S)-1-(benzylcarbamoyl)-2-methylpro...)
Affinity DataKi:  87.2nM ΔG°:  -41.9kJ/molepH: 4.5 T: 2°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(Homo sapiens (Human))
Purdue University

Curated by ChEMBL
LigandPNGBDBM16268((2R,4S,5S)-N-[(1S)-1-(benzylcarbamoyl)-2-methylpro...)
Affinity DataKi:  108nM ΔG°:  -41.4kJ/molepH: 4.5 T: 2°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(Homo sapiens (Human))
Purdue University

Curated by ChEMBL
LigandPNGBDBM16269(amide-urethane derived inhibitor 12c | pent-4-en-1...)
Affinity DataKi:  112nM ΔG°:  -41.3kJ/molepH: 4.5 T: 2°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
TargetCathepsin D(Homo sapiens (Human))
Purdue University

Curated by ChEMBL
LigandPNGBDBM16253((3,5-dimethyl-1H-pyrazol-1-yl)methyl N-[(1R)-1-{[(...)
Affinity DataKi:  131nM ΔG°:  -40.9kJ/molepH: 4.5 T: 2°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(Homo sapiens (Human))
Purdue University

Curated by ChEMBL
LigandPNGBDBM16258(1-N-benzyl-3-N-[(1R,3S,4S)-3-hydroxy-1,6-dimethyl-...)
Affinity DataKi:  136nM ΔG°:  -40.8kJ/molepH: 4.5 T: 2°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(Homo sapiens (Human))
Purdue University

Curated by ChEMBL
LigandPNGBDBM50042290(CHEMBL3361307)
Affinity DataKi:  148nMAssay Description:Inhibition of recombinant BACE1 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
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