BDBM50661048 CHEMBL6143248::US20260078122, Example 100

SMILES Cc1c(C2CC2)cnc2c(-c3ccc(F)c4[nH]ncc34)c(N)c(=O)[nH]c12

InChI Key InChIKey=VDVGPGCRWJTFFV-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 = 50661048   

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

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50661048BDBM50661048(CHEMBL6143248 | US20260078122, Example 100)
Affinity DataKi:  0.240nMAssay 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 50661048BDBM50661048(CHEMBL6143248 | US20260078122, Example 100)
Affinity DataIC50: 2.5nMAssay 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 50661048BDBM50661048(CHEMBL6143248 | US20260078122, Example 100)
Affinity DataIC50: 10nMAssay Description:The cellular potency of Compound 1 in suppressing intracellular 2-HG levels was determined in cell lines expressing five different mutated IDH-1 prot...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 50661048BDBM50661048(CHEMBL6143248 | US20260078122, Example 100)
Affinity DataIC50: 25nMAssay 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 50661048BDBM50661048(CHEMBL6143248 | US20260078122, Example 100)
Affinity DataIC50: 1.04E+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