BDBM50579597 CHEMBL4876040::US11453683, Example 243::US20230279025, Example 243

SMILES Oc1cc(-c2ncc3c(nc(OC[C@@]45CCCN4C[C@H](F)C5)nc3c2F)N2CC3CCC(C2)N3)c2c(cccc2c1)C#C

InChI Key InChIKey=HQVNRYKTWPMSGZ-ADTQRWQWSA-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 = 50579597   

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

US Patent
LigandPNGBDBM50579597(CHEMBL4876040 | US11453683, Example 243 | US202302...)
Affinity DataIC50:  0.400nMAssay 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 DepthDetails US Patent
TargetGTPase KRas [G12D](Homo sapiens (Human))
Mirati Therapeutics

US Patent
LigandPNGBDBM50579597(CHEMBL4876040 | US11453683, Example 243 | 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
In DepthDetails US Patent
TargetGTPase KRas [G12D](Homo sapiens (Human))
Mirati Therapeutics

US Patent
LigandPNGBDBM50579597(CHEMBL4876040 | US11453683, Example 243 | US202302...)
Affinity DataIC50:  0.400nMAssay 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 DepthDetails US Patent
TargetGTPase KRas(Homo sapiens (Human))
Usona Institute

Curated by ChEMBL
LigandPNGBDBM50579597(CHEMBL4876040 | US11453683, Example 243 | US202302...)
Affinity DataIC50:  0.400nMAssay 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 DepthDetails ArticlePubMed