BDBM50514676 CHEMBL4519086::US20240150396, Compound 15

SMILES C[n+]1ccccc1\C=C\[C@H](CCc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1

InChI Key InChIKey=VZWOGJRVIYJLGW-UHFFFAOYSA-O

Data  12 KI

  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 12 hits for monomerid = 50514676   

TargetCruzipain(Trypanosoma cruzi)
Texas A&M University

Curated by ChEMBL
LigandPNGBDBM50514676(CHEMBL4519086 | US20240150396, Compound 15)
Affinity DataKi:  88nMAssay Description:Inhibition of Trypanosoma cruzi cruzain assessed as rate constant for enzyme-inhibitor-substrate complex using Cbz-Phe-Arg-AMC as substrate measured ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/21/2021
Entry Details Article
PubMed
TargetCruzipain(Trypanosoma cruzi)
Texas A&M University

Curated by ChEMBL
LigandPNGBDBM50514676(CHEMBL4519086 | US20240150396, Compound 15)
Affinity DataKi:  126nMAssay Description:All enzyme assays were performed at 25° C. Initial rates of the peptidolytic reaction catalyzed by cruzain were measured by monitoring the fluorescen...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/9/2024
Entry Details
Go to US Patent

TargetCruzipain(Trypanosoma cruzi)
Texas A&M University

Curated by ChEMBL
LigandPNGBDBM50514676(CHEMBL4519086 | US20240150396, Compound 15)
Affinity DataKi:  126nMAssay Description:All enzyme assays were performed at 25° C. Initial rates of the peptidolytic reaction catalyzed by cruzain were measured by monitoring the fluorescen...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/9/2024
Entry Details
Go to US Patent

TargetCruzipain(Trypanosoma cruzi)
Texas A&M University

Curated by ChEMBL
LigandPNGBDBM50514676(CHEMBL4519086 | US20240150396, Compound 15)
Affinity DataKi:  126nMAssay Description:All enzyme assays were performed at 25° C. Initial rates of the peptidolytic reaction catalyzed by cruzain were measured by monitoring the fluorescen...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/9/2024
Entry Details
Go to US Patent

TargetCathepsin S(Human)
Texas A&M University

Curated by ChEMBL
LigandPNGBDBM50514676(CHEMBL4519086 | US20240150396, Compound 15)
Affinity DataKi:  320nMAssay Description:Inhibition of recombinant human Cathepsin S expressed in Escherichia coli assessed as rate constant for enzyme-inhibitor-substrate complex using Cbz-...More 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
LigandPNGBDBM50514676(CHEMBL4519086 | US20240150396, Compound 15)
Affinity DataKi:  320nMAssay Description:All enzyme assays were performed at 25° C. Initial rates of the peptidolytic reaction catalyzed by cruzain were measured by monitoring the fluorescen...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/9/2024
Entry Details
Go to US Patent

TargetCruzipain(Trypanosoma cruzi)
Texas A&M University

Curated by ChEMBL
LigandPNGBDBM50514676(CHEMBL4519086 | US20240150396, Compound 15)
Affinity DataKi:  760nMAssay Description:Inhibition of Trypanosoma cruzi cruzain assessed as rate constant for enzyme-inhibitor complex using Cbz-Phe-Arg-AMC as substrate and measured up to ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/21/2021
Entry Details Article
PubMed
TargetProcathepsin L(Human)
Texas A&M University

Curated by ChEMBL
LigandPNGBDBM50514676(CHEMBL4519086 | US20240150396, Compound 15)
Affinity DataKi:  880nMAssay Description:Inhibition of human Cathepsin L assessed as rate constant for enzyme-inhibitor-substrate complex using Cbz-Phe-Arg-AMC as substrate measured up to 40...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/21/2021
Entry Details Article
PubMed
TargetProcathepsin L(Human)
Texas A&M University

Curated by ChEMBL
LigandPNGBDBM50514676(CHEMBL4519086 | US20240150396, Compound 15)
Affinity DataKi:  880nMAssay Description:All enzyme assays were performed at 25° C. Initial rates of the peptidolytic reaction catalyzed by cruzain were measured by monitoring the fluorescen...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/9/2024
Entry Details
Go to US Patent

TargetCruzipain(Trypanosoma cruzi)
Texas A&M University

Curated by ChEMBL
LigandPNGBDBM50514676(CHEMBL4519086 | US20240150396, Compound 15)
Affinity DataKi:  2.00E+3nMAssay 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
TargetCathepsin B(Human)
Texas A&M University

Curated by ChEMBL
LigandPNGBDBM50514676(CHEMBL4519086 | US20240150396, Compound 15)
Affinity DataKi:  3.70E+4nMAssay Description:Inhibition of human Cathepsin B assessed as rate constant for enzyme-inhibitor-substrate complex using Cbz-Phe-Arg-AMC as substrate measured up to 40...More 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
LigandPNGBDBM50514676(CHEMBL4519086 | US20240150396, Compound 15)
Affinity DataKi:  3.70E+4nMAssay Description:All enzyme assays were performed at 25° C. Initial rates of the peptidolytic reaction catalyzed by cruzain were measured by monitoring the fluorescen...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/9/2024
Entry Details
Go to US Patent