BDBM50579600 CHEMBL4857438::US11453683, Example 251::US20230279025, Example 251

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

InChI Key InChIKey=MREIKMRVSAOCHR-RMIANRRMSA-N

Data  4 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 4 hits for monomerid = 50579600   

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

US Patent
LigandPNGBDBM50579600(CHEMBL4857438 | US11453683, Example 251 | US202302...)
Affinity DataIC50:  0.200nMAssay 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
LigandPNGBDBM50579600(CHEMBL4857438 | US11453683, Example 251 | US202302...)
Affinity DataIC50:  10.3nMAssay 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
LigandPNGBDBM50579600(CHEMBL4857438 | US11453683, Example 251 | US202302...)
Affinity DataIC50:  0.200nMAssay 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
LigandPNGBDBM50579600(CHEMBL4857438 | US11453683, Example 251 | US202302...)
Affinity DataIC50:  0.200nMAssay 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