BDBM688671 2-((2S)-4-(6-Chloro-7-(2-fluorophenyl)-1-(2-isopropyl-4-methylpyridin-3-yl)-2-oxo-1,2-dihydropyrido[2,3-d]pyrimidin-4-yl)-1-(oxirane-2-carbonyl)piperazin-2-yl)acetonitrile::US20240190862, Example 23

SMILES CC(C)c1nccc(C)c1-n1c2nc(c(Cl)cc2c(nc1=O)N1CCN([C@@H](CC#N)C1)C(=O)C1CO1)-c1ccccc1F

InChI Key InChIKey=FMFBOMPXKZYIRV-UHFFFAOYSA-N

Data  3 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 3 hits for monomerid = 688671   

TargetGTPase KRas [1-169,G12C,C118A](Human)
Amgen

US Patent
LigandPNGBDBM688671(US20240190862, Example 23 | 2-((2S)-4-(6-Chloro-7-...)
Affinity DataIC50: 431nMAssay Description:Purified GDP-bound KRAS protein (aa 1-169), containing either G12C or G12D, as well as C118A amino acid substitutions and an N-terminal His-tag, was ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/8/2024
Entry Details
US Patent

TargetGTPase KRas [1-169,G12D](Human)
Amgen

US Patent
LigandPNGBDBM688671(US20240190862, Example 23 | 2-((2S)-4-(6-Chloro-7-...)
Affinity DataIC50: 2.50E+5nMAssay Description:Purified GDP-bound KRAS protein (aa 1-169), containing either G12C or G12D, as well as C118A amino acid substitutions and an N-terminal His-tag, was ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/8/2024
Entry Details
US Patent

TargetGTPase KRas [1-169,G12C,C118A](Human)
Amgen

US Patent
LigandPNGBDBM688671(US20240190862, Example 23 | 2-((2S)-4-(6-Chloro-7-...)
Affinity DataIC50: 2.50E+5nMAssay Description:Purified GDP-bound KRAS protein (aa 1-169), containing either G12C or G12D, as well as C118A amino acid substitutions and an N-terminal His-tag, was ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/8/2024
Entry Details
US Patent