BDBM573583 US11453683, Example 181::US20230279025, Example 181

SMILES Oc1cc(-c2ncc3c(ncnc3c2F)N2CC3CCC(C2)N3)c2ccccc2c1

InChI Key InChIKey=BSIRLWLPTUFZHK-UHFFFAOYSA-N

Data  5 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 5 hits for monomerid = 573583   

TargetGTPase KRas [G12D](Human)
Mirati Therapeutics

US Patent
LigandChemical structure of BindingDB Monomer ID 573583BDBM573583(US11453683, Example 181 | US20230279025, Example 1...)
Affinity DataIC50: 572nMAssay Description:This Example illustrates that exemplary compounds of the present invention inhibit the phosphorylation of ERK downstream of KRAS G12D. AGS cells (ATC...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/17/2023
Entry Details
US Patent

TargetGTPase KRas [G12D](Human)
Mirati Therapeutics

US Patent
LigandChemical structure of BindingDB Monomer ID 573583BDBM573583(US11453683, Example 181 | US20230279025, Example 1...)
Affinity DataIC50: 572nMAssay Description:Table 2: The ability of a compound to bind to KRAS G12D was measured using a TR-FRET displacement assay. Biotinylated GDP-loaded recombinant human KR...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/4/2022
Entry Details
US Patent

TargetSon of sevenless homolog 1(Human)
Schrodinger, Inc.

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 573583BDBM573583(US11453683, Example 181 | US20230279025, Example 1...)
Affinity DataIC50: 2.96E+3nMAssay Description:Binding affinity to recombinant human His10-tagged SOS1 (564 to 1049 residues) assessed as inhibition of GST-tagged human KRAS G12C mutant (1 to 169 ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/6/2026
Entry Details
PubMed
TargetGTPase KRas(Human)
Mirati Therapeutics

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 573583BDBM573583(US11453683, Example 181 | US20230279025, Example 1...)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of KRAS G12D mutant in human AGS cells assessed as reduction in ERK phosphorylation measured after 3 hrs by In-Cell Western assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/7/2023
Entry Details Article
PubMed
TargetGTPase KRas [G12D](Human)
Mirati Therapeutics

US Patent
LigandChemical structure of BindingDB Monomer ID 573583BDBM573583(US11453683, Example 181 | US20230279025, Example 1...)
Affinity DataIC50: 1.28E+4nMAssay Description:Table 2: The ability of a compound to bind to KRAS G12D was measured using a TR-FRET displacement assay. Biotinylated GDP-loaded recombinant human KR...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/4/2022
Entry Details
US Patent