BDBM50286441 (S)-2-((S)-2-Acetylamino-4-(S)-methyl-pentanoylamino)-4-methyl-pentanoic acid (1-formyl-4-guanidino-butyl)-amide::(S)-2-Acetylamino-4-methyl-pentanoic acid [(R)-1-((S)-1-formyl-4-guanidino-butylcarbamoyl)-3-methyl-butyl]-amide::(S)-2-Acetylamino-4-methyl-pentanoic acid [(S)-1-((S)-1-formyl-4-guanidino-butylcarbamoyl)-3-methyl-butyl]-amide::(S)-2-[(S)-2-((S)-2-Acetylamino-4-methyl-pentanoylamino)-4-methyl-pentanoylamino]-5-guanidino-pentanoic acid::(S)-2-acetylamino-4-methyl-pentanoic acid [(S)-2-(1-formyl-4-guanidino-butylamino)-4-methyl-pentanoyl]-amide::2-Acetylamino-4-methyl-pentanoic acid [1-(1-formyl-4-guanidino-butylcarbamoyl)-3-methyl-butyl]-amide::Ac-LLR-CHO::Ac-Leu-Leu-Arg-H::CHEMBL129157

SMILES CC(C)C[C@H](NC(C)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O

InChI Key InChIKey=OLNJKAXRBXUBTB-UHFFFAOYSA-N

Data  14 KI  17 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 31 hits for monomerid = 50286441   

TargetCathepsin B(Bovine)
University of Arkansas

Curated by ChEMBL
LigandPNGBDBM50286441(Ac-LLR-CHO | Ac-Leu-Leu-Arg-H | (S)-2-((S)-2-Acety...)
Affinity DataIC50: 310nMAssay Description:Inhibition of cathepsin B with Cbz-L-lysine-p-nitrophenyl ester as substrateMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/26/2012
Entry Details Article
PubMed
TargetSerine protease 1(Bovine)
University of Arkansas

Curated by ChEMBL
LigandPNGBDBM50286441(Ac-LLR-CHO | Ac-Leu-Leu-Arg-H | (S)-2-((S)-2-Acety...)
Affinity DataIC50: 8.10E+3nMAssay Description:Inhibition of trypsin with benzoyl-L-arginine ethyl ester as substrateMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/26/2012
Entry Details Article
PubMed
TargetPlasma kallikrein(Human)
University of Arkansas

Curated by ChEMBL
LigandPNGBDBM50286441(Ac-LLR-CHO | Ac-Leu-Leu-Arg-H | (S)-2-((S)-2-Acety...)
Affinity DataIC50: 4.00E+4nMAssay Description:Inhibition of kallikrein with benzoyl-L-arginine ethyl ester as substrateMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/26/2012
Entry Details Article
PubMed
TargetProthrombin(Bovine)
University of Arkansas

Curated by ChEMBL
LigandPNGBDBM50286441(Ac-LLR-CHO | Ac-Leu-Leu-Arg-H | (S)-2-((S)-2-Acety...)
Affinity DataIC50: 1.20E+4nMAssay Description:Inhibition of thrombin with benzoyl-Phe-Val-arginine- p-nitroanilide as substrateMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/26/2012
Entry Details Article
PubMed
TargetCysteine proteinase falcipain 3(Plasmodium falciparum (isolate 3D7))
National Institute of Allergy and Infectious Diseases

Curated by ChEMBL
LigandPNGBDBM50286441(Ac-LLR-CHO | Ac-Leu-Leu-Arg-H | (S)-2-((S)-2-Acety...)
Affinity DataIC50: 98nMAssay Description:Inhibition of Cysteine protease falcipain-3 in Plasmodium falciparum HB3-leuR1 mutant infected erythrocytes by Z-Phe-Arg-AMC substrate hydrolysis ass...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/24/2011
Entry Details Article
PubMed
TargetCysteine proteinase falcipain 3(Plasmodium falciparum (isolate 3D7))
National Institute of Allergy and Infectious Diseases

Curated by ChEMBL
LigandPNGBDBM50286441(Ac-LLR-CHO | Ac-Leu-Leu-Arg-H | (S)-2-((S)-2-Acety...)
Affinity DataIC50: 87nMAssay Description:Inhibition of Cysteine protease falcipain-3 in Plasmodium falciparum HB3 infected erythrocytes by Z-Phe-Arg-AMC substrate hydrolysis assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/24/2011
Entry Details Article
PubMed
TargetCysteine proteinase falcipain 2a(malaria parasite P. falciparum)
National Institute of Allergy and Infectious Diseases

Curated by ChEMBL
LigandPNGBDBM50286441(Ac-LLR-CHO | Ac-Leu-Leu-Arg-H | (S)-2-((S)-2-Acety...)
Affinity DataIC50: 98nMAssay Description:Inhibition of Cysteine protease falcipain-2 in Plasmodium falciparum HB3-leuR1 mutant infected erythrocytes by Z-Phe-Arg-AMC substrate hydrolysis ass...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/24/2011
Entry Details Article
PubMed
TargetCysteine proteinase falcipain 2a(malaria parasite P. falciparum)
National Institute of Allergy and Infectious Diseases

Curated by ChEMBL
LigandPNGBDBM50286441(Ac-LLR-CHO | Ac-Leu-Leu-Arg-H | (S)-2-((S)-2-Acety...)
Affinity DataIC50: 87nMAssay Description:Inhibition of Cysteine protease falcipain-2 in Plasmodium falciparum HB3 infected erythrocytes by Z-Phe-Arg-AMC substrate hydrolysis assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/24/2011
Entry Details Article
PubMed
TargetPlasminogen(Bovine)
University of Arkansas

Curated by ChEMBL
LigandPNGBDBM50286441(Ac-LLR-CHO | Ac-Leu-Leu-Arg-H | (S)-2-((S)-2-Acety...)
Affinity DataIC50: 3.70E+3nMAssay Description:Inhibition of plasmin with Val-L-Leu-L-lysine-p-nitroanilide as substrateMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/26/2012
Entry Details Article
PubMed
TargetTrypsin(Pig)
University of Helsinki

Curated by ChEMBL
LigandPNGBDBM50286441(Ac-LLR-CHO | Ac-Leu-Leu-Arg-H | (S)-2-((S)-2-Acety...)
Affinity DataIC50: 200nMAssay Description:Inhibition of pig pancreas trypsin type IX-SMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/20/2016
Entry Details Article
PubMed
TargetTrypsin(Pig)
University of Helsinki

Curated by ChEMBL
LigandPNGBDBM50286441(Ac-LLR-CHO | Ac-Leu-Leu-Arg-H | (S)-2-((S)-2-Acety...)
Affinity DataIC50: 500nMAssay Description:Inhibition of pig pancreas trypsin type IX-S using Boc-Gln-Ala-Arg-MCA substrate by 7-amino-4-methylcoumarin release based spectrofluorometryMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/20/2016
Entry Details Article
PubMed
TargetCathepsin B(Human)
Takeda Chemical Industries

Curated by ChEMBL
LigandPNGBDBM50286441(Ac-LLR-CHO | Ac-Leu-Leu-Arg-H | (S)-2-((S)-2-Acety...)
Affinity DataIC50: 9.40nMAssay Description:Inhibition of human cathepsin BMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/8/2012
Entry Details Article
PubMed
TargetProcathepsin L(Human)
Takeda Chemical Industries

Curated by ChEMBL
LigandPNGBDBM50286441(Ac-LLR-CHO | Ac-Leu-Leu-Arg-H | (S)-2-((S)-2-Acety...)
Affinity DataIC50: 6.60nMAssay Description:Inhibition of human cathepsin L.More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/8/2012
Entry Details Article
PubMed
TargetCysteine protease(Leishmania donovani)
University of Mississippi

Curated by ChEMBL
LigandPNGBDBM50286441(Ac-LLR-CHO | Ac-Leu-Leu-Arg-H | (S)-2-((S)-2-Acety...)
Affinity DataIC50: 10nMAssay Description:Inhibition of Leishmania donovani cysteine proteaseMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/6/2012
Entry Details Article
PubMed
TargetCathepsin B(Human)
Takeda Chemical Industries

Curated by ChEMBL
LigandPNGBDBM50286441(Ac-LLR-CHO | Ac-Leu-Leu-Arg-H | (S)-2-((S)-2-Acety...)
Affinity DataIC50: 47nMAssay Description:Inhibition of cathepsin B by spectrofluorimetryMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/23/2012
Entry Details Article
PubMed
TargetPlasminogen(Human)
Chiba University

Curated by ChEMBL
LigandPNGBDBM50286441(Ac-LLR-CHO | Ac-Leu-Leu-Arg-H | (S)-2-((S)-2-Acety...)
Affinity DataIC50: 1.20E+3nMAssay Description:Inhibition of plasminMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/16/2012
Entry Details Article
PubMed
TargetProcathepsin L(Human)
Takeda Chemical Industries

Curated by ChEMBL
LigandPNGBDBM50286441(Ac-LLR-CHO | Ac-Leu-Leu-Arg-H | (S)-2-((S)-2-Acety...)
Affinity DataIC50: 2.5nMAssay Description:Compound was measured for inhibition of collagenolytic of human Cathepsin LMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/8/2012
Entry Details Article
PubMed
TargetCathepsin B(Goat)
Kurukshetra University

Curated by ChEMBL
LigandPNGBDBM50286441(Ac-LLR-CHO | Ac-Leu-Leu-Arg-H | (S)-2-((S)-2-Acety...)
Affinity DataKi:  0.0200nMAssay Description:Competitive inhibition of goat brain cathepsin BMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/6/2015
Entry Details Article
PubMed
TargetCathepsin B(Human)
Takeda Chemical Industries

Curated by ChEMBL
LigandPNGBDBM50286441(Ac-LLR-CHO | Ac-Leu-Leu-Arg-H | (S)-2-((S)-2-Acety...)
Affinity DataKi:  7nMAssay Description:Inhibition of human liver cathepsin BMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/22/2016
Entry Details Article
PubMed
TargetCathepsin B(Human)
Takeda Chemical Industries

Curated by ChEMBL
LigandPNGBDBM50286441(Ac-LLR-CHO | Ac-Leu-Leu-Arg-H | (S)-2-((S)-2-Acety...)
Affinity DataKi:  7nMAssay Description:Inhibition of human liver cathepsin BMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/6/2015
Entry Details Article
PubMed
TargetSerine protease 1(Human)
Medical University of Bialystok

LigandPNGBDBM50286441(Ac-LLR-CHO | Ac-Leu-Leu-Arg-H | (S)-2-((S)-2-Acety...)
Affinity DataKi:  8nMpH: 7.5Assay Description:Buffer and 0.1 mL of enzyme solution was added to 0.2 mL of examined compounddissolved in 0.15 M NaCl (as control 0.15 M NaCl). The buffer and the en...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/7/2017
Entry Details Article
PubMed
TargetPlasminogen(Human)
Chiba University

Curated by ChEMBL
LigandPNGBDBM50286441(Ac-LLR-CHO | Ac-Leu-Leu-Arg-H | (S)-2-((S)-2-Acety...)
Affinity DataKi:  8.20nMpH: 7.4Assay Description:Buffer and 0.1 mL of enzyme solution was added to 0.2 mL of examined compounddissolved in 0.15 M NaCl (as control 0.15 M NaCl). The buffer and the en...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/7/2017
Entry Details Article
PubMed
TargetCathepsin B(Goat)
Kurukshetra University

Curated by ChEMBL
LigandPNGBDBM50286441(Ac-LLR-CHO | Ac-Leu-Leu-Arg-H | (S)-2-((S)-2-Acety...)
Affinity DataKi:  13nMAssay Description:Competitive inhibition of goat brain cathepsin BMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/22/2016
Entry Details Article
PubMed
TargetSerine protease hepsin(Human)
Washington University

Curated by ChEMBL
LigandPNGBDBM50286441(Ac-LLR-CHO | Ac-Leu-Leu-Arg-H | (S)-2-((S)-2-Acety...)
Affinity DataKi:  61nMAssay Description:Inhibition of recombinant hepsin (unknown origin) using Boc-QAR-AMC as substrate by fluorescence assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/13/2016
Entry Details Article
PubMed
TargetHepatocyte growth factor activator(Human)
Washington University

Curated by ChEMBL
LigandPNGBDBM50286441(Ac-LLR-CHO | Ac-Leu-Leu-Arg-H | (S)-2-((S)-2-Acety...)
Affinity DataKi:  188nMAssay Description:Inhibition of recombinant HGFA (unknown origin) using Boc-QLR-AMC as substrate by chromogenic proteolytic assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/13/2016
Entry Details Article
PubMed
TargetSuppressor of tumorigenicity 14 protein(Human)
Washington University

Curated by ChEMBL
LigandPNGBDBM50286441(Ac-LLR-CHO | Ac-Leu-Leu-Arg-H | (S)-2-((S)-2-Acety...)
Affinity DataKi:  696nMAssay Description:Inhibition of matriptase (unknown origin) using Boc-QAR-AMC as substrate by fluorescence assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/13/2016
Entry Details Article
PubMed
TargetSuppressor of tumorigenicity 14 protein(Human)
Washington University

Curated by ChEMBL
LigandPNGBDBM50286441(Ac-LLR-CHO | Ac-Leu-Leu-Arg-H | (S)-2-((S)-2-Acety...)
Affinity DataKi:  1.90E+3nMAssay Description:Inhibition of human recombinant matriptase catalytic domain expressed in HEK293 cells after 20 minsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/20/2011
Entry Details Article
PubMed
TargetTransmembrane protease serine 6(Human)
University of Bonn

Curated by ChEMBL
LigandPNGBDBM50286441(Ac-LLR-CHO | Ac-Leu-Leu-Arg-H | (S)-2-((S)-2-Acety...)
Affinity DataKi:  2.40E+3nMAssay Description:Inhibition of human recombinant matriptase 2 expressed in HEK293 cells in conditioned medium after 20 minsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/20/2011
Entry Details Article
PubMed
TargetTransmembrane protease serine 6(Human)
University of Bonn

Curated by ChEMBL
LigandPNGBDBM50286441(Ac-LLR-CHO | Ac-Leu-Leu-Arg-H | (S)-2-((S)-2-Acety...)
Affinity DataKi:  4.10E+3nMAssay Description:Inhibition of human purified matriptase 2 catalytic domain expressed in HEK293 cells after 20 minsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/20/2011
Entry Details Article
PubMed
TargetPro-cathepsin H(Human)
Kurukshetra University

Curated by ChEMBL
LigandPNGBDBM50286441(Ac-LLR-CHO | Ac-Leu-Leu-Arg-H | (S)-2-((S)-2-Acety...)
Affinity DataKi:  9.20E+3nMAssay Description:Inhibition of human liver cathepsin HMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/22/2016
Entry Details Article
PubMed
TargetPro-cathepsin H(Human)
Kurukshetra University

Curated by ChEMBL
LigandPNGBDBM50286441(Ac-LLR-CHO | Ac-Leu-Leu-Arg-H | (S)-2-((S)-2-Acety...)
Affinity DataKi:  9.20E+3nMAssay Description:Inhibition of human liver cathepsin HMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/6/2015
Entry Details Article
PubMed