BDBM652997 1-(6-(3-chloro- 4-(1,6-dimethyl- 1H-indazol-7- yl)-7,7- dimethyl-7,8- dihydro-5H- pyrano[4,3- b]pyridin-2-yl)- 2,6- diazaspiro[3.4] octan-2-yl)-2- propen-1-one::US20240059703, Example 2-89::US20240059703, Example 2-90::US20240059703, Example 2-91

SMILES C=CC(=O)N1CC2(CCN(c3nc4c(c(-c5c(C)c(Cl)cc6cnn(C)c56)c3Cl)COC(C)(C)C4)C2)C1

InChI Key InChIKey=TZTIEOXWXRTREX-UHFFFAOYSA-N

Data  3 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 652997   

LigandChemical structure of BindingDB Monomer ID 652997BDBM652997(1-(6-(3-chloro- 4-(1,6-dimethyl- 1H-indazol-7- yl)...)
Affinity DataIC50: 5nMAssay 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 652997BDBM652997(1-(6-(3-chloro- 4-(1,6-dimethyl- 1H-indazol-7- yl)...)
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 652997BDBM652997(1-(6-(3-chloro- 4-(1,6-dimethyl- 1H-indazol-7- yl)...)
Affinity DataIC50: 2.89E+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