BDBM50240828 CHEMBL4067978

SMILES CN1CCN(CC1)CCCOc2cc3c(cc2OC)c(c(cn3)C#N)Nc4cc(c(c(c4)Cl)OC)Cl

InChI Key InChIKey=YCLIWTLPTXAGPQ-UHFFFAOYSA-N

Data  4 Kd

PDB links: 3 PDB IDs match this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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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 = 50240828   

TargetWee1-like protein kinase 2(Human)
Moffitt Cancer Center

Curated by ChEMBL
LigandPNGBDBM50240828(CHEMBL4067978)
Affinity DataKd:  4.70nMAssay Description:Binding affinity to recombinant human N-terminal His6-tagged Wee2 kinase domain (202 to 492 residues) expressed in Escherichia coli BL21 (DE3) by iso...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/7/2019
Entry Details Article
PubMed
LigandPNGBDBM50240828(CHEMBL4067978)
Affinity DataKd:  444nMAssay Description:Binding affinity to recombinant human N-terminal His6-tagged Myt1 kinase domain (75 to 361 residues) by isothermal titration calorimetryMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/7/2019
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetWee1-like protein kinase(Human)
Moffitt Cancer Center

Curated by ChEMBL
LigandPNGBDBM50240828(CHEMBL4067978)
Affinity DataKd:  44nMAssay Description:Binding affinity to recombinant human N-terminal His6-tagged Wee1 kinase domain (291 to 575 residues) expressed in Escherichia coli BL21 (DE3) by iso...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/7/2019
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetWee1-like protein kinase(Human)
Moffitt Cancer Center

Curated by ChEMBL
LigandPNGBDBM50240828(CHEMBL4067978)
Affinity DataKd:  78nMAssay Description:Binding affinity to Wee1 (unknown origin) assessed as dissociation constantMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/19/2024
Entry Details
PubMedPDB3D3D Structure (crystal)