BDBM653061 (1R,9R)-6-(2-chloro-3- fluoro-5- hydroxyphenyl)-10,10- dimethyl-4-(2-(2- propenoyl)-2,6- diazaspiro[3.4]octan-6- yl)-3- azatricyclo[7.1.1.02,7] undeca-2,4,6-triene-5- carbonitrile::US20240059703, Example 12-34

SMILES C=CC(=O)N1CC2(CCN(c3nc4c(c(-c5cc(O)cc(F)c5Cl)c3C#N)C[C@H]3C[C@@H]4C3(C)C)C2)C1

InChI Key InChIKey=AYCVIMRCBOCBRM-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 = 653061   

LigandChemical structure of BindingDB Monomer ID 653061BDBM653061(US20240059703, Example 12-34 | (1R,9R)-6-(2-chloro...)
Affinity DataIC50: 20nMAssay 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