BDBM50579602 CHEMBL4863371::US11453683, Example 253::US20230279025, Example 253

SMILES CCc1c(F)ccc2cc(O)cc(-c3ncc4c(nc(OC[C@@]56CCCN5C[C@H](F)C6)nc4c3F)N3CC4CCC(C3)N4)c12

InChI Key InChIKey=CQFFILOKDRHONU-IFMUVJFISA-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 = 50579602   

TargetGTPase KRas [G12D](Homo sapiens (Human))
Mirati Therapeutics

US Patent
LigandPNGBDBM50579602(CHEMBL4863371 | US11453683, Example 253 | US202302...)
Affinity DataIC50:  0.800nMAssay 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
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetGTPase KRas [G12D](Homo sapiens (Human))
Mirati Therapeutics

US Patent
LigandPNGBDBM50579602(CHEMBL4863371 | US11453683, Example 253 | US202302...)
Affinity DataIC50:  2nMAssay 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
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetGTPase KRas [G12D](Homo sapiens (Human))
Mirati Therapeutics

US Patent
LigandPNGBDBM50579602(CHEMBL4863371 | US11453683, Example 253 | US202302...)
Affinity DataIC50:  0.800nMAssay 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
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetGTPase KRas(Homo sapiens (Human))
Usona Institute

Curated by ChEMBL
LigandPNGBDBM50579602(CHEMBL4863371 | US11453683, Example 253 | US202302...)
Affinity DataIC50:  0.800nMAssay 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
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed