BDBM50506661 CHEMBL4517951

SMILES COC(=O)c1cc(ccc1Br)Nc2c3cc[nH]c3ncn2

InChI Key InChIKey=YHDDNFHODNKNQV-UHFFFAOYSA-N

Data  2 IC50  2 Kd

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 = 50506661   

TargetTau-tubulin kinase 1(Human)
Technical University of Madrid

Curated by ChEMBL
LigandPNGBDBM50506661(CHEMBL4517951)
Affinity DataKd:  4.10E+3nMAssay Description:Binding affinity to phosphorylated TTBK1 (unknown origin) by SPR analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/19/2021
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetTau-tubulin kinase 1(Human)
Technical University of Madrid

Curated by ChEMBL
LigandPNGBDBM50506661(CHEMBL4517951)
Affinity DataKd:  4.10E+3nMAssay Description:Binding affinity to CM5 sensor chip immobilized C-terminal His6/TEV fused-GST-tagged human TTBK1 (14 to 313 residues) expressed in baculovirus infect...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/24/2023
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetTau-tubulin kinase 1(Human)
Technical University of Madrid

Curated by ChEMBL
LigandPNGBDBM50506661(CHEMBL4517951)
Affinity DataIC50: 2.20E+3nMAssay Description:Inhibition of recombinant human TTBK1 using RICDLHDDEEDEAMSITA as substrate incubated for 30 mins in presence of 33P-gamma-ATPMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/24/2023
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetTau-tubulin kinase 2(Human)
Csic

Curated by ChEMBL
LigandPNGBDBM50506661(CHEMBL4517951)
Affinity DataIC50: 4.20E+3nMAssay Description:Inhibition of recombinant human TTBK2 using RICDLHDDEEDEAMSITA as substrate incubated for 30 mins in presence of 33P-gamma-ATPMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/24/2023
Entry Details
PubMed