BDBM50600775 CHEMBL5207942::US20240043470, Compound 3-28

SMILES Fc1ccc(CC[C@@H]2NC(=O)[C@H](Cc3cccc(OCCCC[C@H](NC2=O)C(=O)NC2CCCC2)c3)N2CCCC2=O)cc1

InChI Key InChIKey=AYFFCMCTBRPUQM-UHFFFAOYSA-N

Data  4 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 4 hits for monomerid = 50600775   

TargetProteasome subunit beta type-5(Human)
Weill Cornell Medicine

Curated by ChEMBL
LigandPNGBDBM50600775(CHEMBL5207942 | US20240043470, Compound 3-28)
Affinity DataIC50: 2.70E+3nMAssay Description:Inhibition of human 20S constitutive proteasome beta-5c subunit using Suc-LLVY-AMC as substrate measured after 1.2 hrs in presence of SDSMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/23/2023
Entry Details
PubMed
TargetProteasome subunit beta type-8(Human)
Weill Cornell Medicine

Curated by ChEMBL
LigandPNGBDBM50600775(CHEMBL5207942 | US20240043470, Compound 3-28)
Affinity DataIC50: 5.10E+4nMAssay Description:Inhibition of human 20S immunoproteasome beta-5i subunit using Ac-ANW-AMC as substrate measured after 1.2 hrs in presence of SDSMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/23/2023
Entry Details
PubMed
TargetProteasome subunit beta type-5(Human)
Weill Cornell Medicine

Curated by ChEMBL
LigandPNGBDBM50600775(CHEMBL5207942 | US20240043470, Compound 3-28)
Affinity DataIC50: 660nMAssay Description:Experiments to determine IC50 values against β5i and β5c for compounds were carried out in 96-well plates. In brief, 1 μL of compound ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/12/2024
Entry Details
Go to US Patent

TargetProteasome subunit beta type-8(Human)
Weill Cornell Medicine

Curated by ChEMBL
LigandPNGBDBM50600775(CHEMBL5207942 | US20240043470, Compound 3-28)
Affinity DataIC50: 8.60E+3nMAssay Description:Experiments to determine IC50 values against β5i and β5c for compounds were carried out in 96-well plates. In brief, 1 μL of compound ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/12/2024
Entry Details
Go to US Patent