BDBM50598497 CHEMBL5206785

SMILES Cn1cc(cn1)Nc2c(nc(cn2)C3=CCC[C@H](C3)NC(=O)c4ccccc4)C(=O)N

InChI Key InChIKey=HGABYPLXBWLABT-UHFFFAOYSA-N

Data  4 IC50  1 Kd  2 EC50

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 7 hits for monomerid = 50598497   

TargetMitogen-activated protein kinase kinase kinase kinase 1(Human)
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50598497(CHEMBL5206785)
Affinity DataIC50: 4nMAssay Description:Inhibition of HPK1 (unknown origin) in presence of ATP by TR-FRET assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/23/2023
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetMitogen-activated protein kinase kinase kinase kinase 1(Human)
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50598497(CHEMBL5206785)
Affinity DataEC50:  149nMAssay Description:Inhibition of HPK1(unknown origin) assessed as inhibition of SLP76 phosphorylation by cell based assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/23/2023
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetMitogen-activated protein kinase kinase kinase kinase 1(Human)
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50598497(CHEMBL5206785)
Affinity DataKd:  2.20nMAssay Description:Binding affinity to HPK1 (unknown origin) assessed as dissociation constant by SPR analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/23/2023
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetMitogen-activated protein kinase kinase kinase kinase 1(Human)
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50598497(CHEMBL5206785)
Affinity DataIC50: 4nMAssay Description:Inhibition of human HPK1 in human Jurkat cells assessed as reduction in SLP76 phosphorylationMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/14/2024
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetMitogen-activated protein kinase kinase kinase kinase 1(Human)
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50598497(CHEMBL5206785)
Affinity DataEC50:  150nMAssay Description:Inhibition of human HPK1 in human T cells assessed as increase in IL-2 secretionMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/14/2024
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetMitogen-activated protein kinase kinase kinase kinase 1(Human)
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50598497(CHEMBL5206785)
Affinity DataIC50: 86nMAssay Description:Inhibition of HPK1 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/14/2024
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetMitogen-activated protein kinase kinase kinase kinase 1(Human)
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50598497(CHEMBL5206785)
Affinity DataIC50: 150nMAssay Description:Inhibition of human HPK1 in human Jurkat T cells assessed as inhibition of SLP76 phosphorylationMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/14/2024
Entry Details
PubMedPDB3D3D Structure (crystal)