BDBM653471 (7R)-4-(2-methylphenyl)-7-(4-methyl-1,3- thiazol-5-yl)-2-(2-(2-propenoyl)-2,6- diazaspiro[3.4]octan-6-yl)-5,6,7,8- tetrahydro-3-quinolinecarbonitrile (7S)-4- (2-methylphenyl)-7-(4-methyl-1,3-thiazol- 5-yl)-2-(2-(2-propenoyl)-2,6- diazaspiro[3.4]octan-6-yl)-5,6,7,8- tetrahydro-3-quinolinecarbonitrile::US20240059703, Example 23-2

SMILES C=CC(=O)N1CC2(CCN(c3nc4c(c(-c5ccccc5C)c3C#N)CCC(c3scnc3C)C4)C2)C1

InChI Key InChIKey=VZOIBBRJWWMLSQ-UHFFFAOYSA-N

Data  1 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 653471   

LigandChemical structure of BindingDB Monomer ID 653471BDBM653471(US20240059703, Example 23-2 | (7R)-4-(2-methylphen...)
Affinity DataIC50: 26nMAssay Description:Purified GDP-bound KRAS protein (aa 1-169), containing both G12C and C118A amino acid substitutions and an N-terminal His-tag, was pre-incubated in a...More data for this Ligand-Target Pair
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Date in BDB:
4/24/2024
Entry Details
US Patent