BDBM721171 4,4-difluoro-2-(4-fluorophenyl)-N-(4-{3-[(6-fluoropyridin-2-yl)amino]-6,6-dimethyl-4-oxo-4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridin-2-yl}pyridin-2-yl)butanamide (Enantiomer 1)::US12227501, Example 129

SMILES CC(F)CC(C(=O)N(F)c1cc(-c2[nH]c3c(c2Nc2cccc(F)n2)C(=O)NC(C)(C)C3)ccn1)c1ccc(F)cc1

InChI Key InChIKey=YDOZYQCKMQHHAB-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 = 721171   

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

US Patent
LigandPNGBDBM721171(4,4-difluoro-2-(4-fluorophenyl)-N-(4-{3-[(6-fluoro...)
Affinity DataIC50: 3.39nMAssay Description:For the assay 50 nl of a 100 fold concentrated solution of the test compound in DMSO was pipetted into a white 1536-well microtiter plate (Greiner Bi...More 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
LigandPNGBDBM721171(4,4-difluoro-2-(4-fluorophenyl)-N-(4-{3-[(6-fluoro...)
Affinity DataIC50: 5.40nMAssay Description:For the assay 50 nl of a 100 fold concentrated solution of the test compound in DMSO was pipetted into a white 1536-well microtiter plate (Greiner Bi...More 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
LigandPNGBDBM721171(4,4-difluoro-2-(4-fluorophenyl)-N-(4-{3-[(6-fluoro...)
Affinity DataIC50: 6.37nMAssay Description:For the assay 50 nl of a 100 fold concentrated solution of the test compound in DMSO was pipetted into a white low volume 384-well microtiter plate (...More 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
LigandPNGBDBM721171(4,4-difluoro-2-(4-fluorophenyl)-N-(4-{3-[(6-fluoro...)
Affinity DataIC50: 2.00E+4nMAssay Description:For the assay 50 nl of a 100 fold concentrated solution of the test compound in DMSO was pipetted into either a black low volume 384 well microtiter ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
6/17/2025
Entry Details
Go to US Patent