BDBM721129 N-{4-[3-(2-chloro-3-fluoroanilino)-4-oxo-4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridin-2-yl]pyridin-2-yl}-2-(4-fluorophenyl)acetamide::US12227501, Example 87

SMILES O=C(Cc1ccc(F)cc1)Nc1cc(-c2[nH]c3c(c2Nc2cccc(F)c2Cl)C(=O)NCC3)ccn1

InChI Key InChIKey=UJJMQXWMFBWWJA-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 = 721129   

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

US Patent
LigandPNGBDBM721129(N-{4-[3-(2-chloro-3-fluoroanilino)-4-oxo-4,5,6,7-t...)
Affinity DataIC50: 2.57nMMore 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
LigandPNGBDBM721129(N-{4-[3-(2-chloro-3-fluoroanilino)-4-oxo-4,5,6,7-t...)
Affinity DataIC50: 6.02nMMore 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
LigandPNGBDBM721129(N-{4-[3-(2-chloro-3-fluoroanilino)-4-oxo-4,5,6,7-t...)
Affinity DataIC50: 64.7nMMore 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
LigandPNGBDBM721129(N-{4-[3-(2-chloro-3-fluoroanilino)-4-oxo-4,5,6,7-t...)
Affinity DataIC50: 158nMMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
6/17/2025
Entry Details
Go to US Patent