BDBM721048 (2S)—N-[4-(3-anilino-5-methyl-4-oxo-4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridin-2-yl)pyridin-2-yl]-2-(4-fluorophenyl)propanamide (Stereoisomer 1)::US12227501, Example 5

SMILES C[C@H](C(=O)Nc1cc(-c2[nH]c3c(c2Nc2ccccc2)C(=O)N(C)CC3)ccn1)c1ccc(F)cc1

InChI Key InChIKey=UYAQWCZWVIFRCN-UHFFFAOYSA-N

Data  5 IC50

  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 5 hits for monomerid = 721048   

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

US Patent
LigandPNGBDBM721048((2S)—N-[4-(3-anilino-5-methyl-4-oxo-4,5,6,7-tetrah...)
Affinity DataIC50: 3.62nMAssay Description:Inhibitory activity of compounds of the present invention in presence of 1 μM adenosine-tri-phosphate (ATP) was quantified employing the CSNK1A1 assa...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
LigandPNGBDBM721048((2S)—N-[4-(3-anilino-5-methyl-4-oxo-4,5,6,7-tetrah...)
Affinity DataIC50: 4.45nMAssay 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
LigandPNGBDBM721048((2S)—N-[4-(3-anilino-5-methyl-4-oxo-4,5,6,7-tetrah...)
Affinity DataIC50: 12.1nMAssay 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
LigandPNGBDBM721048((2S)—N-[4-(3-anilino-5-methyl-4-oxo-4,5,6,7-tetrah...)
Affinity DataIC50: 63.4nMAssay 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
LigandPNGBDBM721048((2S)—N-[4-(3-anilino-5-methyl-4-oxo-4,5,6,7-tetrah...)
Affinity DataIC50: 1.44E+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