BDBM50661043 CHEMBL6168984::US20260078122, Example 195

SMILES CCc1cc2[nH]c(=O)c(N)c(-c3ccc(F)c4[nH]ncc34)c2nc1C

InChI Key InChIKey=HHGUNGVEJLDYGP-UHFFFAOYSA-N

Data  1 KI  4 IC50

  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 5 hits for monomerid = 50661043   

TargetMembrane-associated tyrosine- and threonine-specific cdc2-inhibitory kinase(Human)
China Innovation Center of Roche

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50661043BDBM50661043(CHEMBL6168984 | US20260078122, Example 195)
Affinity DataKi:  0.170nMAssay Description:Binding affinity to GST-tagged PKMYT1 (unknown origin) assessed as apparent inhibition constant by morrison equation based analysisMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
6/5/2026
Entry Details
PubMed
TargetMembrane-associated tyrosine- and threonine-specific cdc2-inhibitory kinase(Human)
China Innovation Center of Roche

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50661043BDBM50661043(CHEMBL6168984 | US20260078122, Example 195)
Affinity DataIC50: 7.5nMAssay Description:Binding affinity to NanoLuc-fused PKMYT1 (unknown origin) transfected in HEK293T cells preincubated with compound for 2 hrs followed by substrate add...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
6/5/2026
Entry Details
PubMed
TargetMembrane-associated tyrosine- and threonine-specific cdc2-inhibitory kinase(Human)
China Innovation Center of Roche

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50661043BDBM50661043(CHEMBL6168984 | US20260078122, Example 195)
Affinity DataIC50: 10.8nMAssay Description:The ability of compounds to antagonize human A2A and A2B adenosine receptors was determined using a kit to measure changes in intracellular cyclic AM...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
7/29/2026
Entry Details
US Patent

TargetMembrane-associated tyrosine- and threonine-specific cdc2-inhibitory kinase(Human)
China Innovation Center of Roche

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50661043BDBM50661043(CHEMBL6168984 | US20260078122, Example 195)
Affinity DataIC50: 23nMAssay Description:Inhibition of PKMYT1 (unknown origin) transfected in human HCC1569 cells assessed as reduction in CDK1 phosphorylation at Thr14 incubated for 2hrs by...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
6/5/2026
Entry Details
PubMed
TargetWee1-like protein kinase(Human)
China Innovation Center of Roche

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50661043BDBM50661043(CHEMBL6168984 | US20260078122, Example 195)
Affinity DataIC50: 2.75E+4nMAssay Description:Binding affinity to NanoLuc-fused WEE1 (unknown origin) transfected in HEK293T cells preincubated with compound for 2 hrs followed by substrate addit...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
6/5/2026
Entry Details
PubMed