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Compile Data Set for Download or QSAR
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
(change energy unit to
kcal/mol
)
Found
26
hits in this display
Target
Cruzipain
(Trypanosoma cruzi)
Texas A&M University
Curated by
ChEMBL
Ligand
BDBM50229129
(4-Methyl-piperazine-1-carboxylic acid [(S)-1-((E)-...)
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Affinity Data
Ki: 0.200nM
Assay 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
Target Info
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Target
Cysteine protease
(Trypanosoma brucei rhodesiense)
TBA
Ligand
BDBM50229129
(4-Methyl-piperazine-1-carboxylic acid [(S)-1-((E)-...)
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Affinity Data
Ki: 7nM
Assay Description:
Inhibition of Trypanosoma brucei rhodesiense rhodesain expressed in Pichia pastoris measured for 30 mins using Cbz-Phe-Arg-AMC as substrate
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Target Info
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Target
Procathepsin L
(Homo sapiens (Human))
Johannes Gutenberg University
Curated by
ChEMBL
Ligand
BDBM50229129
(4-Methyl-piperazine-1-carboxylic acid [(S)-1-((E)-...)
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Affinity Data
Ki: 10nM
Assay Description:
Irreversible inhibition of human Cathepsin L assessed as inhibition constant using Cbz-Phe-Arg-AMC as fluorogenic substrate by fluorometric assay
More data for this Ligand-Target Pair
Target Info
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Target
Cysteine protease
(Trypanosoma brucei rhodesiense)
TBA
Ligand
BDBM50229129
(4-Methyl-piperazine-1-carboxylic acid [(S)-1-((E)-...)
Copy SMILES
Copy InChI
Affinity Data
Ki: 20nM
Assay 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
Target Info
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Target
Procathepsin L
(Homo sapiens (Human))
Johannes Gutenberg University
Curated by
ChEMBL
Ligand
BDBM50229129
(4-Methyl-piperazine-1-carboxylic acid [(S)-1-((E)-...)
Copy SMILES
Copy InChI
Affinity Data
Ki: 80nM
Assay Description:
Irreversible inhibition of human cathepsin L
More data for this Ligand-Target Pair
Target Info
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Target
Procathepsin L
(Homo sapiens (Human))
Johannes Gutenberg University
Curated by
ChEMBL
Ligand
BDBM50229129
(4-Methyl-piperazine-1-carboxylic acid [(S)-1-((E)-...)
Copy SMILES
Copy InChI
Affinity Data
Ki: 80nM
Assay Description:
Inhibition of human cathepsin L
More data for this Ligand-Target Pair
Target Info
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
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Target
Cruzipain
(Trypanosoma cruzi)
Texas A&M University
Curated by
ChEMBL
Ligand
BDBM50229129
(4-Methyl-piperazine-1-carboxylic acid [(S)-1-((E)-...)
Copy SMILES
Copy InChI
Affinity Data
Ki: 220nM
Assay Description:
Inhibition of Trypanosoma cruzi cruzain
More data for this Ligand-Target Pair
Target Info
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Target
Cruzipain
(Trypanosoma cruzi)
Texas A&M University
Curated by
ChEMBL
Ligand
BDBM50229129
(4-Methyl-piperazine-1-carboxylic acid [(S)-1-((E)-...)
Copy SMILES
Copy InChI
Affinity Data
Ki: 220nM
Assay Description:
Irreversible inhibition of Trypanosoma cruzi cruzipain
More data for this Ligand-Target Pair
Target Info
PDB
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Target
Cysteine protease
(Trypanosoma brucei rhodesiense)
TBA
Ligand
BDBM50229129
(4-Methyl-piperazine-1-carboxylic acid [(S)-1-((E)-...)
Copy SMILES
Copy InChI
Affinity Data
Ki: 270nM
Assay Description:
Irreversible inhibition of Trypanosoma brucei rhodesiense rhodesain
More data for this Ligand-Target Pair
Target Info
PDB
MMDB
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Target
Cathepsin B
(Homo sapiens (Human))
Universitat Jaume I
Curated by
ChEMBL
Ligand
BDBM50229129
(4-Methyl-piperazine-1-carboxylic acid [(S)-1-((E)-...)
Copy SMILES
Copy InChI
Affinity Data
Ki: 390nM
Assay Description:
Inhibition of human cathepsin B
More data for this Ligand-Target Pair
Target Info
PDB
MMDB
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UniProtKB/SwissProt
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Target
Cathepsin B
(Homo sapiens (Human))
Universitat Jaume I
Curated by
ChEMBL
Ligand
BDBM50229129
(4-Methyl-piperazine-1-carboxylic acid [(S)-1-((E)-...)
Copy SMILES
Copy InChI
Affinity Data
Ki: 390nM
Assay Description:
Irreversible inhibition of human Cathepsin B assessed as inhibition constant using Cbz-Phe-Arg-AMC as fluorogenic substrate by fluorometric assay
More data for this Ligand-Target Pair
Target Info
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
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Target
Cathepsin B
(Homo sapiens (Human))
Universitat Jaume I
Curated by
ChEMBL
Ligand
BDBM50229129
(4-Methyl-piperazine-1-carboxylic acid [(S)-1-((E)-...)
Copy SMILES
Copy InChI
Affinity Data
Ki: 390nM
Assay Description:
Irreversible inhibition of human cathepsin B
More data for this Ligand-Target Pair
Target Info
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
Ligand Info
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CHEMBL
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PubMed
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Target
Procathepsin L
(Homo sapiens (Human))
Johannes Gutenberg University
Curated by
ChEMBL
Ligand
BDBM50229129
(4-Methyl-piperazine-1-carboxylic acid [(S)-1-((E)-...)
Copy SMILES
Copy InChI
Affinity Data
IC50: 0.200nM
Assay Description:
Inhibition of human Cathepsin L using Cbz-Phe-Arg-AMC as substrate by fluorescence assay
More data for this Ligand-Target Pair
Target Info
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
Ligand Info
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CHEMBL
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PubMed
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Target
Cruzipain
(Trypanosoma cruzi)
Texas A&M University
Curated by
ChEMBL
Ligand
BDBM50229129
(4-Methyl-piperazine-1-carboxylic acid [(S)-1-((E)-...)
Copy SMILES
Copy InChI
Affinity Data
IC50: 0.200nM
Assay Description:
Inhibition of Trypanosoma cruzi cruzain using Z-Phe-Arg-AMC as substrate by spectrofluorometric assay
More data for this Ligand-Target Pair
Target Info
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Target
Cathepsin S
(Homo sapiens (Human))
Texas A&M University
Curated by
ChEMBL
Ligand
BDBM50229129
(4-Methyl-piperazine-1-carboxylic acid [(S)-1-((E)-...)
Copy SMILES
Copy InChI
Affinity Data
IC50: 0.600nM
Assay Description:
Inhibition of recombinant human Cathepsin S expressed in Escherichia coli using Cbz-Phe-Arg-AMC as substrate by fluorescence assay
More data for this Ligand-Target Pair
Target Info
PDB
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KEGG
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Target
Procathepsin L
(Homo sapiens (Human))
Johannes Gutenberg University
Curated by
ChEMBL
Ligand
BDBM50229129
(4-Methyl-piperazine-1-carboxylic acid [(S)-1-((E)-...)
Copy SMILES
Copy InChI
Affinity Data
IC50: 0.680nM
Assay Description:
Inhibition of human recombinant Cathepsin L assessed as Kinact using Z-FR-AMC as substrate incubated for 30 mins by fluorometric assay
More data for this Ligand-Target Pair
Target Info
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
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CHEMBL
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Target
Cruzipain
(Trypanosoma cruzi)
Texas A&M University
Curated by
ChEMBL
Ligand
BDBM50229129
(4-Methyl-piperazine-1-carboxylic acid [(S)-1-((E)-...)
Copy SMILES
Copy InChI
Affinity Data
IC50: 2nM
Assay Description:
Inhibition of Trypanosoma cruzi cruzain using Cbz-Phe-Arg-AMC as substrate and measured up to 40 mins by fluorescence assay
More data for this Ligand-Target Pair
Target Info
PDB
MMDB
UniProtKB/SwissProt
B.MOAD
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Ligand Info
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CHEMBL
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Target
Cruzipain
(Trypanosoma cruzi)
Texas A&M University
Curated by
ChEMBL
Ligand
BDBM50229129
(4-Methyl-piperazine-1-carboxylic acid [(S)-1-((E)-...)
Copy SMILES
Copy InChI
Affinity Data
IC50: 4nM
Assay Description:
Inhibition of Trypanosoma cruzi recombinant cruzain by fluorescence technique
More data for this Ligand-Target Pair
Target Info
PDB
MMDB
UniProtKB/SwissProt
B.MOAD
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GoogleScholar
Ligand Info
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CHEMBL
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In Depth
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Article
PubMed
Copy BDB DOI
Target
Cruzipain
(Trypanosoma cruzi)
Texas A&M University
Curated by
ChEMBL
Ligand
BDBM50229129
(4-Methyl-piperazine-1-carboxylic acid [(S)-1-((E)-...)
Copy SMILES
Copy InChI
Affinity Data
IC50: 4nM
Assay Description:
Inhibition of Trypanosoma cruzi cruzain after 5 mins
More data for this Ligand-Target Pair
Target Info
PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
Ligand Info
Purchase
CHEMBL
PC cid
PC sid
Similars
In Depth
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Article
PubMed
Copy BDB DOI
Target
Cysteine protease
(Trypanosoma brucei rhodesiense)
TBA
Ligand
BDBM50229129
(4-Methyl-piperazine-1-carboxylic acid [(S)-1-((E)-...)
Copy SMILES
Copy InChI
Affinity Data
IC50: 5nM
Assay Description:
Inhibition of rhodesain
More data for this Ligand-Target Pair
Target Info
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CHEMBL
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In Depth
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PubMed
Copy BDB DOI
Target
Cruzipain
(Trypanosoma cruzi)
Texas A&M University
Curated by
ChEMBL
Ligand
BDBM50229129
(4-Methyl-piperazine-1-carboxylic acid [(S)-1-((E)-...)
Copy SMILES
Copy InChI
Affinity Data
IC50: 5nM
Assay Description:
Inhibition of cruzain
More data for this Ligand-Target Pair
Target Info
PDB
MMDB
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B.MOAD
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CHEMBL
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PubMed
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Target
Cathepsin B
(Homo sapiens (Human))
Universitat Jaume I
Curated by
ChEMBL
Ligand
BDBM50229129
(4-Methyl-piperazine-1-carboxylic acid [(S)-1-((E)-...)
Copy SMILES
Copy InChI
Affinity Data
IC50: 5.70nM
Assay Description:
Inhibition of human Cathepsin B using Cbz-Phe-Arg-AMC as substrate by fluorescence assay
More data for this Ligand-Target Pair
Target Info
PDB
MMDB
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KEGG
UniProtKB/SwissProt
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antibodypedia
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Target
Cysteine protease
(Trypanosoma brucei rhodesiense)
TBA
Ligand
BDBM50229129
(4-Methyl-piperazine-1-carboxylic acid [(S)-1-((E)-...)
Copy SMILES
Copy InChI
Affinity Data
IC50: 7nM
Assay Description:
Inhibition of Trypanosoma brucei rhodesiense rhodesain preincubated after 5 mins
More data for this Ligand-Target Pair
Target Info
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Target
Papain
(Carica papaya)
University Of Glasgow
Curated by
ChEMBL
Ligand
BDBM50229129
(4-Methyl-piperazine-1-carboxylic acid [(S)-1-((E)-...)
Copy SMILES
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Affinity Data
IC50: 81nM
Assay 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
Target Info
PDB
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Target
Cysteine protease
(Trypanosoma brucei rhodesiense)
TBA
Ligand
BDBM50229129
(4-Methyl-piperazine-1-carboxylic acid [(S)-1-((E)-...)
Copy SMILES
Copy InChI
Affinity Data
IC50: 100nM
Assay Description:
Inhibition of Trypanosoma brucei rhodesiense recombinant rhodesain by fluorescence technique
More data for this Ligand-Target Pair
Target Info
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Target
Cathepsin B-like cysteine protease
(Trypanosoma brucei)
University Of California
Curated by
ChEMBL
Ligand
BDBM50229129
(4-Methyl-piperazine-1-carboxylic acid [(S)-1-((E)-...)
Copy SMILES
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Affinity Data
IC50: 4.00E+3nM
Assay Description:
Inhibition of Trypanosoma brucei Cathepsin B-like protease after 5 mins
More data for this Ligand-Target Pair
Target Info
PDB
MMDB
KEGG
UniProtKB/TrEMBL
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GoogleScholar
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CHEMBL
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