BDBM696444 (−)-3-(3-chloro-2-methoxyanilino)-2-{3-[2-(oxetan-2-yl)ethoxy]pyridin-4-yl}-1,5,6,7-tetrahydro-4H-pyrrolo[3,2-c]pyridin-4-one::US20240307362, Example 26

SMILES COc1c(Cl)cccc1Nc1c([nH]c2CCNC(=O)c12)-c1ccncc1OCCC1CCO1

InChI Key InChIKey=WRHXCULGAQMZFX-UHFFFAOYSA-N

Data  2 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 2 hits for monomerid = 696444   

TargetEpidermal growth factor receptor [1-770,'SVD',771-1210](Human)
Bayer Aktiengesellschaft; The Broad Institute, Inc.; Dana-Farber Cancer Institute, Inc.

US Patent
LigandPNGBDBM696444((−)-3-(3-chloro-2-methoxyanilino)-2-{3-[2-(o...)
Affinity DataIC50: 0.0730nMAssay Description:A recombinant fusion protein of N-terminal Glutathion-S-Transferase (GST) and a fragment of human EGFR variant (amino acids R669 to A1210 with insert...More data for this Ligand-Target Pair
Ligand InfoSimilars
In Depth
Date in BDB:
1/16/2025
Entry Details
Go to US Patent

TargetMitotic checkpoint serine/threonine-protein kinase BUB1 [704-1085](Human)
Bayer Aktiengesellschaft; The Broad Institute, Inc.; Dana-Farber Cancer Institute, Inc.

US Patent
LigandPNGBDBM696444((−)-3-(3-chloro-2-methoxyanilino)-2-{3-[2-(o...)
Affinity DataIC50: 1.54E+3nMAssay 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 InfoSimilars
In Depth
Date in BDB:
1/16/2025
Entry Details
Go to US Patent