BDBM653180 (1R,9R)-6-(3-hydroxy-1- naphthalenyl)-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 13-108::US20240059703, Example 13-129::US20240059703, Example 13-130

SMILES C=CC(=O)N1CC2(CCN(c3nc4c(c(-c5cc(O)cc6ccccc56)c3C#N)C[C@H]3C[C@@H]4C3(C)C)C2)C1

InChI Key InChIKey=AIVDXTXHFRELCI-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 4 hits for monomerid = 653180   

LigandChemical structure of BindingDB Monomer ID 653180BDBM653180(US20240059703, Example 13-108 | (1R,9R)-6-(3-hydro...)
Affinity DataIC50: 13nMAssay 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

TargetGTPase KRas(Human)
Amgen

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 653180BDBM653180(US20240059703, Example 13-108 | (1R,9R)-6-(3-hydro...)
Affinity DataIC50: 19nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/6/2026
Entry Details PubMed
LigandChemical structure of BindingDB Monomer ID 653180BDBM653180(US20240059703, Example 13-108 | (1R,9R)-6-(3-hydro...)
Affinity DataIC50: 24nMAssay 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 653180BDBM653180(US20240059703, Example 13-108 | (1R,9R)-6-(3-hydro...)
Affinity DataIC50: 1.31E+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