BDBM652975 (1R,9R)-6-(5- hydroxy-2- methylphenyl)- 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 2-67::US20240059703, Example 2-68::US20240059703, Example 2-69

SMILES C=CC(=O)N1CC2(CCN(c3nc4c(c(-c5cc(O)ccc5C)c3C#N)C[C@H]3C[C@@H]4C3(C)C)C2)C1

InChI Key InChIKey=SNMXZYJPMZSCBA-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 = 652975   

LigandChemical structure of BindingDB Monomer ID 652975BDBM652975(US20240059703, Example 2-68 | (1R,9R)-6-(5- hydrox...)
Affinity DataIC50: 15nMAssay 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 652975BDBM652975(US20240059703, Example 2-68 | (1R,9R)-6-(5- hydrox...)
Affinity DataIC50: 38nMAssay 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 652975BDBM652975(US20240059703, Example 2-68 | (1R,9R)-6-(5- hydrox...)
Affinity DataIC50: 1.60E+4nMAssay 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