BDBM50579599 CHEMBL4874297::US11453683, Example 246::US20230279025, Example 246

SMILES Oc1cc(-c2ncc3c(nc(OC[C@@]45CCCN4C[C@H](F)C5)nc3c2F)N2CC3CCC(C2)N3)c2c(F)c(F)ccc2c1

InChI Key InChIKey=DPNHZGPOIOCMPM-UHFFFAOYSA-N

Data  4 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 = 50579599   

TargetGTPase KRas [G12D](Human)
Mirati Therapeutics

US Patent
LigandPNGBDBM50579599(CHEMBL4874297 | US11453683, Example 246 | US202302...)
Affinity DataIC50: 0.600nMAssay 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
Go to US Patent

TargetGTPase KRas(Human)
Usona Institute

Curated by ChEMBL
LigandPNGBDBM50579599(CHEMBL4874297 | US11453683, Example 246 | US202302...)
Affinity DataIC50: 0.600nMAssay Description:Displacement of Cy5-labelled tracer from biotinylated GDP-loaded human recombinant KRAS G12D mutant (1 to 169 residues) measured after 60 mins by TR-...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/25/2022
Entry Details Article
PubMed
TargetGTPase KRas [G12D](Human)
Mirati Therapeutics

US Patent
LigandPNGBDBM50579599(CHEMBL4874297 | US11453683, Example 246 | US202302...)
Affinity DataIC50: 0.600nMAssay 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
Go to US Patent

TargetGTPase KRas [G12D](Human)
Mirati Therapeutics

US Patent
LigandPNGBDBM50579599(CHEMBL4874297 | US11453683, Example 246 | US202302...)
Affinity DataIC50: 1nMAssay 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
Go to US Patent