BDBM50040806 CHEMBL3361254

SMILES c1nc(c2c3c(sc2n1)CC[C@@H]3CC(=O)N)OC4CCC(CC4)N5CCOCC5

InChI Key InChIKey=VZOLINZYKOLXAC-UHFFFAOYSA-N

Data  1 KI  3 IC50

PDB links: 1 PDB ID matches this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50040806   

TargetCyclin-dependent kinase 8(Human)
Takeda Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM50040806(CHEMBL3361254)
Affinity DataIC50: 22nMAssay Description:Inhibition of CDK8 in human A549 cells by mass spectrometric methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/14/2019
Entry Details Article
PubMed
TargetInterleukin-1 receptor-associated kinase 4(Human)
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50040806(CHEMBL3361254)
Affinity DataIC50: 7.5nMAssay Description:Inhibition of IRAK4 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/19/2021
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetInterleukin-1 receptor-associated kinase 4(Human)
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50040806(CHEMBL3361254)
Affinity DataIC50: 7.5nMAssay Description:Inhibition of IRAK4 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/24/2023
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetInterleukin-1 receptor-associated kinase 4(Human)
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50040806(CHEMBL3361254)
Affinity DataKi:  7.5nMAssay Description:Inhibition of N-terminal GST-fused full-length human IRAK4 (1 to 460 amino acids) assessed as reduction in phosphorylated substrates by Caliper assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/18/2016
Entry Details Article
PubMedPDB3D3D Structure (crystal)