BDBM50600777 CHEMBL5173314::US20240043470, Compound 3-20

SMILES c1cc2cc(c1)OCCCC[C@H](NC(=O)[C@@H](NC(=O)[C@H](C2)N3CCCC3=O)CCN4CCOCC4)C(=O)NC5CCCC5

InChI Key InChIKey=UGEFECOTMZPOER-UHFFFAOYSA-N

Data  4 IC50

PDB links: 2 PDB IDs match this monomer.

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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 = 50600777   

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

Curated by ChEMBL
LigandPNGBDBM50600777(CHEMBL5173314 | US20240043470, Compound 3-20)
Affinity DataIC50: 1.00E+5nMAssay 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
PubMedPDB3D3D Structure (crystal)
TargetProteasome subunit beta type-8(Human)
Weill Cornell Medicine

Curated by ChEMBL
LigandPNGBDBM50600777(CHEMBL5173314 | US20240043470, Compound 3-20)
Affinity DataIC50: 1.00E+5nMAssay 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
LigandPNGBDBM50600777(CHEMBL5173314 | US20240043470, Compound 3-20)
Affinity DataIC50: 8.18E+4nMAssay 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
PDB3D3D Structure (crystal)
TargetProteasome subunit beta type-8(Human)
Weill Cornell Medicine

Curated by ChEMBL
LigandPNGBDBM50600777(CHEMBL5173314 | US20240043470, Compound 3-20)
Affinity DataIC50: 3.33E+4nMAssay 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