BDBM721085 N-{4-[3-anilino-4-oxo-6-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridin-2-yl]pyridin-2-yl}-2-(4-fluorophenyl)acetamide (Racemate)::US12227501, Example 43

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

InChI Key InChIKey=ATSAULVLXRFCAQ-UHFFFAOYSA-N

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 = 721085   

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

US Patent
LigandPNGBDBM721085(N-{4-[3-anilino-4-oxo-6-(trifluoromethyl)-4,5,6,7-...)
Affinity DataIC50: 3.52nMMore 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
LigandPNGBDBM721085(N-{4-[3-anilino-4-oxo-6-(trifluoromethyl)-4,5,6,7-...)
Affinity DataIC50: 7.12nMMore 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
LigandPNGBDBM721085(N-{4-[3-anilino-4-oxo-6-(trifluoromethyl)-4,5,6,7-...)
Affinity DataIC50: 67.5nMMore 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
LigandPNGBDBM721085(N-{4-[3-anilino-4-oxo-6-(trifluoromethyl)-4,5,6,7-...)
Affinity DataIC50: 2.00E+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