BDBM50579595 CHEMBL4863339::US11453683, Example 185::US20230279025, Example 185

SMILES Oc1cc(-c2ncc3c(nc(OCC45CCCN4CCC5)nc3c2F)N2CC3CCC(C2)N3)c2c(cccc2c1)C#C

InChI Key InChIKey=JFYPNKVDMZEUOJ-UHFFFAOYSA-N

Data  4 IC50  2 Kd

  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 6 hits for monomerid = 50579595   

TargetGTPase KRas [G12D](Human)
Mirati Therapeutics

US Patent
LigandPNGBDBM50579595(CHEMBL4863339 | US11453683, Example 185 | US202302...)
Affinity DataIC50: 0.300nMAssay 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

TargetGTPase KRas(Human)
Usona Institute

Curated by ChEMBL
LigandPNGBDBM50579595(CHEMBL4863339 | US11453683, Example 185 | US202302...)
Affinity DataIC50: 0.300nMAssay 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
LigandPNGBDBM50579595(CHEMBL4863339 | US11453683, Example 185 | US202302...)
Affinity DataIC50: 0.300nMAssay 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
LigandPNGBDBM50579595(CHEMBL4863339 | US11453683, Example 185 | US202302...)
Affinity DataIC50: 7.10nMAssay 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

TargetGTPase KRas [G12D](Human)
Mirati Therapeutics

US Patent
LigandPNGBDBM50579595(CHEMBL4863339 | US11453683, Example 185 | US202302...)
Affinity DataKd:  0nMAssay Description:Table 1: Briefly, 1 L of 1.05× HBS-Mg buffer (262.5 mM Bioultra Hepes, pH 7.5, 157.5 mM NaCl, 105 mM MgCl2, 0.525 mM TCEP, 0.0305% Brij-35) was prepa...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/4/2022
Entry Details
US Patent

TargetGTPase KRas [G12D](Human)
Mirati Therapeutics

US Patent
LigandPNGBDBM50579595(CHEMBL4863339 | US11453683, Example 185 | US202302...)
Affinity DataKd:  0nMAssay Description:Briefly, 1L of 1.05X HBS-Mg buffer (262.5 mM Bioultra Hepes, pH 7.5, 157.5 mM NaCl, 105 mM MgCl2, 0.525 mM TCEP, 0.0305% Brij-35) was prepared and fi...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/17/2023
Entry Details
US Patent