BDBM50661045 CHEMBL6160115::US20260078122, Example 94

SMILES Cc1cc(C)c2[nH]c(=O)c(N)c(-c3ccc(F)c4[nH]ncc34)c2n1

InChI Key InChIKey=ORXYKKVHDBWZBV-UHFFFAOYSA-N

  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 = 50661045   

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

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50661045BDBM50661045(CHEMBL6160115 | US20260078122, Example 94)
Affinity DataKi:  1.5nMMore 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 50661045BDBM50661045(CHEMBL6160115 | US20260078122, Example 94)
Affinity DataIC50: 17nMMore 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 50661045BDBM50661045(CHEMBL6160115 | US20260078122, Example 94)
Affinity DataIC50: 18.8nMAssay 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

TargetWee1-like protein kinase(Human)
China Innovation Center of Roche

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50661045BDBM50661045(CHEMBL6160115 | US20260078122, Example 94)
Affinity DataIC50: 3.03E+4nMMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
6/5/2026
Entry Details
PubMed