BDBM50514682 CHEMBL4451437::US20240150396, Compound 9

SMILES CN1CCN(CC1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCc1ccccc1)\C=C\c1ncccn1

InChI Key InChIKey=LRYRPRADEHZOOS-UHFFFAOYSA-N

Data  4 KI

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50514682   

TargetCruzipain(Trypanosoma cruzi)
Texas A&M University

Curated by ChEMBL
LigandPNGBDBM50514682(CHEMBL4451437 | US20240150396, Compound 9)
Affinity DataKi:  2.20E+3nMAssay 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
LigandPNGBDBM50514682(CHEMBL4451437 | US20240150396, Compound 9)
Affinity DataKi:  2.20E+3nMAssay 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
LigandPNGBDBM50514682(CHEMBL4451437 | US20240150396, Compound 9)
Affinity DataKi:  2.20E+3nMAssay 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
LigandPNGBDBM50514682(CHEMBL4451437 | US20240150396, Compound 9)
Affinity DataKi: >1.00E+4nMAssay 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