BDBM50525354 CHEMBL4517307::US12012467, Compound DI-591

SMILES CCC(=O)N[C@@H](Cc1nc2ccc(cc2s1)C(C)C)C(=O)N[C@H](CNC(=O)CCN3CCOCC3)C4CCCCC4

InChI Key InChIKey=CNJKDQGPBAWNRY-UHFFFAOYSA-N

Data  1 KI  2 IC50

PDB links: 1 PDB ID matches this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50525354   

TargetDCN1-like protein 1(Human)
Zhengzhou University

Curated by ChEMBL
LigandPNGBDBM50525354(CHEMBL4517307 | US12012467, Compound DI-591)
Affinity DataIC50: 21nMAssay Description:Binding affinity to N-terminal His6-tagged recombinant human DCN1 expressed in Escherichia coli BL21-AI assessed as reduction in DCN1-FAM-labelled N-...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/24/2021
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetDCN1-like protein 1(Human)
Zhengzhou University

Curated by ChEMBL
LigandPNGBDBM50525354(CHEMBL4517307 | US12012467, Compound DI-591)
Affinity DataIC50: 90.7nMAssay Description:The Fluorescence Polarization (FP) competitive binding assays were performed to accurately determine the binding affinities of our DCN1 inhibitors. A...More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/19/2024
Entry Details
Go to US Patent
PDB3D3D Structure (crystal)
TargetDCN1-like protein 1(Human)
Zhengzhou University

Curated by ChEMBL
LigandPNGBDBM50525354(CHEMBL4517307 | US12012467, Compound DI-591)
Affinity DataKi:  12nMAssay Description:Binding affinity to DCN1 (unknown origin) assessed as inhibition of constant by fluorescence polarization assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/23/2024
Entry Details
PubMedPDB3D3D Structure (crystal)