BDBM50229129 4-Methyl-piperazine-1-carboxylic acid [(S)-1-((E)-(S)-3-benzenesulfonyl-1-phenethyl-allylcarbamoyl)-2-phenyl-ethyl]-amide::4-[(S)-1-((E)-(S)-3-benzenesulfonyl-1-phenethyl-allylcarbamoyl)-2-phenyl-ethylcarbamoyl]-1-methyl-piperazin-1-ium::4-methyl-N-((S)-1-oxo-3-phenyl-1-((S)-5-phenyl-1-(phenylsulfonyl)pent-1-en-3-ylamino)propan-2-yl)piperazine-1-carboxamide::4-methyl-N-((S)-1-oxo-3-phenyl-1-((S,E)-5-phenyl-1-(phenylsulfonyl)pent-1-en-3-ylamino)propan-2-yl)piperazine-1-carboxamide::CHEMBL91704::K-777

SMILES CN1CCN(CC1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCc1ccccc1)C=CS(=O)(=O)c1ccccc1

InChI Key InChIKey=RHJLQMVZXQKJKB-JDXGNMNLSA-N

Data  11 KI  13 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 24 hits for monomerid = 50229129   

TargetCruzipain(Trypanosoma cruzi)
Texas A&M University

Curated by ChEMBL
LigandPNGBDBM50229129(4-Methyl-piperazine-1-carboxylic acid [(S)-1-((E)-...)
Affinity DataKi:  0.200nMAssay Description:Time dependent inhibition of Trypanosoma cruzi cruzain using Cbz-Phe-Arg-AMC as substrate assessed as inhibition constant for EI complex measured for...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetProcathepsin L(Homo sapiens (Human))
Johannes Gutenberg University

Curated by ChEMBL
LigandPNGBDBM50229129(4-Methyl-piperazine-1-carboxylic acid [(S)-1-((E)-...)
Affinity DataKi:  10nMAssay Description:Irreversible inhibition of human Cathepsin L assessed as inhibition constant using Cbz-Phe-Arg-AMC as fluorogenic substrate by fluorometric assayMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetCysteine protease(Trypanosoma brucei rhodesiense)
Universitat Jaume I

Curated by ChEMBL
LigandPNGBDBM50229129(4-Methyl-piperazine-1-carboxylic acid [(S)-1-((E)-...)
Affinity DataKi:  20nMAssay Description:Inhibition of Trypanosoma brucei rhodesiense rhodesain expressed in Pichia pastoris using Cbz-Phe-Arg-AMC as substrate after 15 to 30 mins by fluores...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetProcathepsin L(Homo sapiens (Human))
Johannes Gutenberg University

Curated by ChEMBL
LigandPNGBDBM50229129(4-Methyl-piperazine-1-carboxylic acid [(S)-1-((E)-...)
Affinity DataKi:  80nMAssay Description:Irreversible inhibition of human cathepsin LMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetProcathepsin L(Homo sapiens (Human))
Johannes Gutenberg University

Curated by ChEMBL
LigandPNGBDBM50229129(4-Methyl-piperazine-1-carboxylic acid [(S)-1-((E)-...)
Affinity DataKi:  80nMAssay Description:Inhibition of human cathepsin LMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCruzipain(Trypanosoma cruzi)
Texas A&M University

Curated by ChEMBL
LigandPNGBDBM50229129(4-Methyl-piperazine-1-carboxylic acid [(S)-1-((E)-...)
Affinity DataKi:  220nMAssay Description:Inhibition of Trypanosoma cruzi cruzainMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCruzipain(Trypanosoma cruzi)
Texas A&M University

Curated by ChEMBL
LigandPNGBDBM50229129(4-Methyl-piperazine-1-carboxylic acid [(S)-1-((E)-...)
Affinity DataKi:  220nMAssay Description:Irreversible inhibition of Trypanosoma cruzi cruzipainMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCysteine protease(Trypanosoma brucei rhodesiense)
Universitat Jaume I

Curated by ChEMBL
LigandPNGBDBM50229129(4-Methyl-piperazine-1-carboxylic acid [(S)-1-((E)-...)
Affinity DataKi:  270nMAssay Description:Irreversible inhibition of Trypanosoma brucei rhodesiense rhodesainMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCathepsin B(Homo sapiens (Human))
University Of S£O Paulo

Curated by ChEMBL
LigandPNGBDBM50229129(4-Methyl-piperazine-1-carboxylic acid [(S)-1-((E)-...)
Affinity DataKi:  390nMAssay Description:Irreversible inhibition of human cathepsin BMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCathepsin B(Homo sapiens (Human))
University Of S£O Paulo

Curated by ChEMBL
LigandPNGBDBM50229129(4-Methyl-piperazine-1-carboxylic acid [(S)-1-((E)-...)
Affinity DataKi:  390nMAssay Description:Inhibition of human cathepsin BMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCathepsin B(Homo sapiens (Human))
University Of S£O Paulo

Curated by ChEMBL
LigandPNGBDBM50229129(4-Methyl-piperazine-1-carboxylic acid [(S)-1-((E)-...)
Affinity DataKi:  390nMAssay Description:Irreversible inhibition of human Cathepsin B assessed as inhibition constant using Cbz-Phe-Arg-AMC as fluorogenic substrate by fluorometric assayMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetCruzipain(Trypanosoma cruzi)
Texas A&M University

Curated by ChEMBL
LigandPNGBDBM50229129(4-Methyl-piperazine-1-carboxylic acid [(S)-1-((E)-...)
Affinity DataIC50:  2nMAssay Description:Inhibition of Trypanosoma cruzi cruzain using Cbz-Phe-Arg-AMC as substrate and measured up to 40 mins by fluorescence assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCruzipain(Trypanosoma cruzi)
Texas A&M University

Curated by ChEMBL
LigandPNGBDBM50229129(4-Methyl-piperazine-1-carboxylic acid [(S)-1-((E)-...)
Affinity DataIC50:  0.200nMAssay Description:Inhibition of Trypanosoma cruzi cruzain using Z-Phe-Arg-AMC as substrate by spectrofluorometric assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCathepsin S(Homo sapiens (Human))
Texas A&M University

Curated by ChEMBL
LigandPNGBDBM50229129(4-Methyl-piperazine-1-carboxylic acid [(S)-1-((E)-...)
Affinity DataIC50:  0.600nMAssay Description:Inhibition of recombinant human Cathepsin S expressed in Escherichia coli using Cbz-Phe-Arg-AMC as substrate by fluorescence assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCathepsin B(Homo sapiens (Human))
University Of S£O Paulo

Curated by ChEMBL
LigandPNGBDBM50229129(4-Methyl-piperazine-1-carboxylic acid [(S)-1-((E)-...)
Affinity DataIC50:  5.70nMAssay Description:Inhibition of human Cathepsin B using Cbz-Phe-Arg-AMC as substrate by fluorescence assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetProcathepsin L(Homo sapiens (Human))
Johannes Gutenberg University

Curated by ChEMBL
LigandPNGBDBM50229129(4-Methyl-piperazine-1-carboxylic acid [(S)-1-((E)-...)
Affinity DataIC50:  0.200nMAssay Description:Inhibition of human Cathepsin L using Cbz-Phe-Arg-AMC as substrate by fluorescence assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPapain(Carica papaya)
University Of Glasgow

Curated by ChEMBL
LigandPNGBDBM50229129(4-Methyl-piperazine-1-carboxylic acid [(S)-1-((E)-...)
Affinity DataIC50:  81nMAssay Description:Inhibition of papaya papain assessed as reduction in p-nitoaniline release using Nalpha-benzoyl-L-arginine 4-nitroanilide hydrochloride as substrate ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCysteine protease(Trypanosoma brucei rhodesiense)
Universitat Jaume I

Curated by ChEMBL
LigandPNGBDBM50229129(4-Methyl-piperazine-1-carboxylic acid [(S)-1-((E)-...)
Affinity DataIC50:  100nMAssay Description:Inhibition of Trypanosoma brucei rhodesiense recombinant rhodesain by fluorescence techniqueMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCruzipain(Trypanosoma cruzi)
Texas A&M University

Curated by ChEMBL
LigandPNGBDBM50229129(4-Methyl-piperazine-1-carboxylic acid [(S)-1-((E)-...)
Affinity DataIC50:  4nMAssay Description:Inhibition of Trypanosoma cruzi recombinant cruzain by fluorescence techniqueMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCruzipain(Trypanosoma cruzi)
Texas A&M University

Curated by ChEMBL
LigandPNGBDBM50229129(4-Methyl-piperazine-1-carboxylic acid [(S)-1-((E)-...)
Affinity DataIC50:  4nMAssay Description:Inhibition of Trypanosoma cruzi cruzain after 5 minsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCysteine protease(Trypanosoma brucei rhodesiense)
Universitat Jaume I

Curated by ChEMBL
LigandPNGBDBM50229129(4-Methyl-piperazine-1-carboxylic acid [(S)-1-((E)-...)
Affinity DataIC50:  7nMAssay Description:Inhibition of Trypanosoma brucei rhodesiense rhodesain preincubated after 5 minsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCruzipain(Trypanosoma cruzi)
Texas A&M University

Curated by ChEMBL
LigandPNGBDBM50229129(4-Methyl-piperazine-1-carboxylic acid [(S)-1-((E)-...)
Affinity DataIC50:  5nMAssay Description:Inhibition of cruzainMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCysteine protease(Trypanosoma brucei rhodesiense)
Universitat Jaume I

Curated by ChEMBL
LigandPNGBDBM50229129(4-Methyl-piperazine-1-carboxylic acid [(S)-1-((E)-...)
Affinity DataIC50:  5nMAssay Description:Inhibition of rhodesainMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCathepsin B-like cysteine protease(Trypanosoma brucei)
University Of California

Curated by ChEMBL
LigandPNGBDBM50229129(4-Methyl-piperazine-1-carboxylic acid [(S)-1-((E)-...)
Affinity DataIC50:  4.00E+3nMAssay Description:Inhibition of Trypanosoma brucei Cathepsin B-like protease after 5 minsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed