BDBM721099 N-[4-(3'-anilino-4'-oxo-1',4',5',7'-tetrahydrospiro[cyclobutane-1,6'-pyrrolo[3,2-c]pyridin]-2'-yl)pyridin-2-yl]-2-(4-fluorophenyl)acetamide::US12227501, Example 57

SMILES O=C(Cc1ccc(F)cc1)Nc1cc(-c2[nH]c3c(c2Nc2ccccc2)C(=O)NC2(CCC2)C3)ccn1

InChI Key

Data  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 4 hits for monomerid = 721099   

TargetCasein kinase I isoform alpha(Human)
Bayer Aktiengesellschaft; Dana-Farber Cancer Institute, Inc.; The Broad Institute, Inc.

US Patent
LigandPNGBDBM721099(N-[4-(3'-anilino-4'-oxo-1',4',5',7'-tetrahydrospir...)
Affinity DataIC50: 2.01nMMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
6/17/2025
Entry Details
Go to US Patent

TargetCasein kinase I isoform delta(Human)
Bayer Aktiengesellschaft; Dana-Farber Cancer Institute, Inc.; The Broad Institute, Inc.

US Patent
LigandPNGBDBM721099(N-[4-(3'-anilino-4'-oxo-1',4',5',7'-tetrahydrospir...)
Affinity DataIC50: 3.10nMMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
6/17/2025
Entry Details
Go to US Patent

TargetCasein kinase I isoform alpha(Human)
Bayer Aktiengesellschaft; Dana-Farber Cancer Institute, Inc.; The Broad Institute, Inc.

US Patent
LigandPNGBDBM721099(N-[4-(3'-anilino-4'-oxo-1',4',5',7'-tetrahydrospir...)
Affinity DataIC50: 10.3nMMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
6/17/2025
Entry Details
Go to US Patent

TargetEpidermal growth factor receptor [669-1210](Human)
Bayer Aktiengesellschaft; Dana-Farber Cancer Institute, Inc.; The Broad Institute, Inc.

US Patent
LigandPNGBDBM721099(N-[4-(3'-anilino-4'-oxo-1',4',5',7'-tetrahydrospir...)
Affinity DataIC50: 870nMMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
6/17/2025
Entry Details
Go to US Patent