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-UHFFFAOYSA-N

Data  12 KI  14 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 26 hits for monomerid = 50229129   

TargetCruzipain(Trypanosoma cruzi)
Scripps Florida

Curated by ChEMBL
LigandPNGBDBM50229129(4-methyl-N-((S)-1-oxo-3-phenyl-1-((S)-5-phenyl-1-(...)
Affinity DataIC50: 4nMAssay Description:Inhibition of Trypanosoma cruzi recombinant cruzain by fluorescence techniqueMore data for this Ligand-Target Pair
In Depth
Date in BDB:
1/11/2010
Entry Details Article
PubMed
TargetCysteine protease(Trypanosoma brucei rhodesiense)
Scripps Florida

Curated by ChEMBL
LigandPNGBDBM50229129(4-methyl-N-((S)-1-oxo-3-phenyl-1-((S)-5-phenyl-1-(...)
Affinity DataIC50: 100nMAssay Description:Inhibition of Trypanosoma brucei rhodesiense recombinant rhodesain by fluorescence techniqueMore data for this Ligand-Target Pair
In Depth
Date in BDB:
1/11/2010
Entry Details Article
PubMed
TargetCruzipain(Trypanosoma cruzi)
Scripps Florida

Curated by ChEMBL
LigandPNGBDBM50229129(4-methyl-N-((S)-1-oxo-3-phenyl-1-((S)-5-phenyl-1-(...)
Affinity DataIC50: 4nMAssay Description:Inhibition of Trypanosoma cruzi cruzain after 5 minsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/17/2010
Entry Details Article
PubMed
TargetCysteine protease(Trypanosoma brucei rhodesiense)
Scripps Florida

Curated by ChEMBL
LigandPNGBDBM50229129(4-methyl-N-((S)-1-oxo-3-phenyl-1-((S)-5-phenyl-1-(...)
Affinity DataIC50: 7nMAssay Description:Inhibition of Trypanosoma brucei rhodesiense rhodesain preincubated after 5 minsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/17/2010
Entry Details Article
PubMed
TargetCathepsin B-like cysteine protease(Trypanosoma brucei)
University of California

Curated by ChEMBL
LigandPNGBDBM50229129(4-methyl-N-((S)-1-oxo-3-phenyl-1-((S)-5-phenyl-1-(...)
Affinity DataIC50: 4.00E+3nMAssay Description:Inhibition of Trypanosoma brucei Cathepsin B-like protease after 5 minsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/17/2010
Entry Details Article
PubMed
TargetCruzipain(Trypanosoma cruzi)
Scripps Florida

Curated by ChEMBL
LigandPNGBDBM50229129(4-methyl-N-((S)-1-oxo-3-phenyl-1-((S)-5-phenyl-1-(...)
Affinity DataIC50: 5nMAssay Description:Inhibition of cruzainMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/13/2012
Entry Details Article
PubMed
TargetCysteine protease(Trypanosoma brucei rhodesiense)
Scripps Florida

Curated by ChEMBL
LigandPNGBDBM50229129(4-methyl-N-((S)-1-oxo-3-phenyl-1-((S)-5-phenyl-1-(...)
Affinity DataIC50: 5nMAssay Description:Inhibition of rhodesainMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/13/2012
Entry Details Article
PubMed
TargetProcathepsin L(Human)
Shandong University

Curated by ChEMBL
LigandPNGBDBM50229129(4-methyl-N-((S)-1-oxo-3-phenyl-1-((S)-5-phenyl-1-(...)
Affinity DataIC50: 0.680nMAssay Description:Inhibition of human recombinant Cathepsin L assessed as Kinact using Z-FR-AMC as substrate incubated for 30 mins by fluorometric assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/19/2024
Entry Details
PubMed
TargetPapain(Papaya)
University of Glasgow

Curated by ChEMBL
LigandPNGBDBM50229129(4-methyl-N-((S)-1-oxo-3-phenyl-1-((S)-5-phenyl-1-(...)
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 Depth
Date in BDB:
3/21/2022
Entry Details Article
PubMed
TargetProcathepsin L(Human)
Shandong University

Curated by ChEMBL
LigandPNGBDBM50229129(4-methyl-N-((S)-1-oxo-3-phenyl-1-((S)-5-phenyl-1-(...)
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 Depth
Date in BDB:
2/21/2021
Entry Details Article
PubMed
TargetCathepsin B(Human)
Texas A&M University

Curated by ChEMBL
LigandPNGBDBM50229129(4-methyl-N-((S)-1-oxo-3-phenyl-1-((S)-5-phenyl-1-(...)
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 Depth
Date in BDB:
2/21/2021
Entry Details Article
PubMed
TargetCathepsin S(Human)
Texas A&M University

Curated by ChEMBL
LigandPNGBDBM50229129(4-methyl-N-((S)-1-oxo-3-phenyl-1-((S)-5-phenyl-1-(...)
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 Depth
Date in BDB:
2/21/2021
Entry Details Article
PubMed
TargetCruzipain(Trypanosoma cruzi)
Scripps Florida

Curated by ChEMBL
LigandPNGBDBM50229129(4-methyl-N-((S)-1-oxo-3-phenyl-1-((S)-5-phenyl-1-(...)
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 Depth
Date in BDB:
2/21/2021
Entry Details Article
PubMed
TargetCruzipain(Trypanosoma cruzi)
Scripps Florida

Curated by ChEMBL
LigandPNGBDBM50229129(4-methyl-N-((S)-1-oxo-3-phenyl-1-((S)-5-phenyl-1-(...)
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 Depth
Date in BDB:
2/21/2021
Entry Details Article
PubMed
TargetCruzipain(Trypanosoma cruzi)
Scripps Florida

Curated by ChEMBL
LigandPNGBDBM50229129(4-methyl-N-((S)-1-oxo-3-phenyl-1-((S)-5-phenyl-1-(...)
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 Depth
Date in BDB:
3/5/2023
Entry Details Article
PubMed
TargetCysteine protease(Trypanosoma brucei rhodesiense)
Scripps Florida

Curated by ChEMBL
LigandPNGBDBM50229129(4-methyl-N-((S)-1-oxo-3-phenyl-1-((S)-5-phenyl-1-(...)
Affinity DataKi:  7nMAssay Description:Inhibition of Trypanosoma brucei rhodesiense rhodesain expressed in Pichia pastoris measured for 30 mins using Cbz-Phe-Arg-AMC as substrateMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/21/2024
Entry Details
PubMed
TargetProcathepsin L(Human)
Shandong University

Curated by ChEMBL
LigandPNGBDBM50229129(4-methyl-N-((S)-1-oxo-3-phenyl-1-((S)-5-phenyl-1-(...)
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 Depth
Date in BDB:
6/20/2023
Entry Details
PubMed
TargetCysteine protease(Trypanosoma brucei rhodesiense)
Scripps Florida

Curated by ChEMBL
LigandPNGBDBM50229129(4-methyl-N-((S)-1-oxo-3-phenyl-1-((S)-5-phenyl-1-(...)
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 Depth
Date in BDB:
8/1/2018
Entry Details Article
PubMed
TargetProcathepsin L(Human)
Shandong University

Curated by ChEMBL
LigandPNGBDBM50229129(4-methyl-N-((S)-1-oxo-3-phenyl-1-((S)-5-phenyl-1-(...)
Affinity DataKi:  80nMAssay Description:Irreversible inhibition of human cathepsin LMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/18/2021
Entry Details Article
PubMed
TargetProcathepsin L(Human)
Shandong University

Curated by ChEMBL
LigandPNGBDBM50229129(4-methyl-N-((S)-1-oxo-3-phenyl-1-((S)-5-phenyl-1-(...)
Affinity DataKi:  80nMAssay Description:Inhibition of human cathepsin LMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/1/2018
Entry Details Article
PubMed
TargetCruzipain(Trypanosoma cruzi)
Scripps Florida

Curated by ChEMBL
LigandPNGBDBM50229129(4-methyl-N-((S)-1-oxo-3-phenyl-1-((S)-5-phenyl-1-(...)
Affinity DataKi:  220nMAssay Description:Irreversible inhibition of Trypanosoma cruzi cruzipainMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/18/2021
Entry Details Article
PubMed
TargetCruzipain(Trypanosoma cruzi)
Scripps Florida

Curated by ChEMBL
LigandPNGBDBM50229129(4-methyl-N-((S)-1-oxo-3-phenyl-1-((S)-5-phenyl-1-(...)
Affinity DataKi:  220nMAssay Description:Inhibition of Trypanosoma cruzi cruzainMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/11/2009
Entry Details Article
PubMed
TargetCysteine protease(Trypanosoma brucei rhodesiense)
Scripps Florida

Curated by ChEMBL
LigandPNGBDBM50229129(4-methyl-N-((S)-1-oxo-3-phenyl-1-((S)-5-phenyl-1-(...)
Affinity DataKi:  270nMAssay Description:Irreversible inhibition of Trypanosoma brucei rhodesiense rhodesainMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/18/2021
Entry Details Article
PubMed
TargetCathepsin B(Human)
Texas A&M University

Curated by ChEMBL
LigandPNGBDBM50229129(4-methyl-N-((S)-1-oxo-3-phenyl-1-((S)-5-phenyl-1-(...)
Affinity DataKi:  390nMAssay Description:Irreversible inhibition of human cathepsin BMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/18/2021
Entry Details Article
PubMed
TargetCathepsin B(Human)
Texas A&M University

Curated by ChEMBL
LigandPNGBDBM50229129(4-methyl-N-((S)-1-oxo-3-phenyl-1-((S)-5-phenyl-1-(...)
Affinity DataKi:  390nMAssay Description:Inhibition of human cathepsin BMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/1/2018
Entry Details Article
PubMed
TargetCathepsin B(Human)
Texas A&M University

Curated by ChEMBL
LigandPNGBDBM50229129(4-methyl-N-((S)-1-oxo-3-phenyl-1-((S)-5-phenyl-1-(...)
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 Depth
Date in BDB:
6/20/2023
Entry Details
PubMed