BDBM50661038 CHEMBL6165232::US20260078122, Example 17

SMILES Cc1cc2[nH]c(=O)c(N)c(-c3ccc(F)c4[nH]ncc34)c2nc1C

InChI Key InChIKey=RTANBUFKXDWHFE-UHFFFAOYSA-N

Data  1 KI  4 IC50

  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 5 hits for monomerid = 50661038   

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

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50661038BDBM50661038(CHEMBL6165232 | US20260078122, Example 17)
Affinity DataKi:  0.190nMAssay 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 50661038BDBM50661038(CHEMBL6165232 | US20260078122, Example 17)
Affinity DataIC50: 4.90nMAssay 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 50661038BDBM50661038(CHEMBL6165232 | US20260078122, Example 17)
Affinity DataIC50: 10nMAssay Description:CHO-K1 cells expressing Ga16 and hGPR120 were dispensed into each well of a 96-well plate (3×104 cells/100 μl/well) and then incubated in 5% CO2...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 50661038BDBM50661038(CHEMBL6165232 | US20260078122, Example 17)
Affinity DataIC50: 43nMAssay 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 50661038BDBM50661038(CHEMBL6165232 | US20260078122, Example 17)
Affinity DataIC50: 5.00E+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