BDBM653301 1-(6-((1R,9R)-5-fluoro- 10,10-dimethyl-6-(5- methyl-1H-indazol-4- yl)-3- azatricyclo[7.1.1.02,7] undeca-2,4,6-trien-4-yl)-2,6- diazaspiro[3.4]octan-2- yl)-2-propen-1-one::US20240059703, Example 14-72::US20240059703, Example 14-73::US20240059703, Example 14-74

SMILES C=CC(=O)N1CC2(CCN(c3nc4c(c(-c5c(C)ccc6[nH]ncc56)c3F)C[C@H]3C[C@@H]4C3(C)C)C2)C1

InChI Key InChIKey=XEXKHEPHFWFQLK-UHFFFAOYSA-N

Data  3 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 3 hits for monomerid = 653301   

LigandChemical structure of BindingDB Monomer ID 653301BDBM653301(US20240059703, Example 14-72 | 1-(6-((1R,9R)-5-flu...)
Affinity DataIC50: 10nMAssay 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
In Depth
Date in BDB:
4/24/2024
Entry Details
US Patent

LigandChemical structure of BindingDB Monomer ID 653301BDBM653301(US20240059703, Example 14-72 | 1-(6-((1R,9R)-5-flu...)
Affinity DataIC50: 30nMAssay 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
In Depth
Date in BDB:
4/24/2024
Entry Details
US Patent

LigandChemical structure of BindingDB Monomer ID 653301BDBM653301(US20240059703, Example 14-72 | 1-(6-((1R,9R)-5-flu...)
Affinity DataIC50: 1.56E+3nMAssay 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
In Depth
Date in BDB:
4/24/2024
Entry Details
US Patent