BDBM50579601 CHEMBL4858364::US11453683, Example 252::US20230279025, Example 481

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

InChI Key InChIKey=SCLLZBIBSFTLIN-UHFFFAOYSA-N

Data  6 IC50  1 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 7 hits for monomerid = 50579601   

TargetGTPase KRas [G12D](Human)
Mirati Therapeutics

US Patent
LigandPNGBDBM50579601(CHEMBL4858364 | US11453683, Example 252 | 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 Depth
Date in BDB:
10/17/2023
Entry Details
Go to US Patent

TargetGTPase KRas(Human)
Usona Institute

Curated by ChEMBL
LigandPNGBDBM50579601(CHEMBL4858364 | US11453683, Example 252 | 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 Depth
Date in BDB:
8/25/2022
Entry Details Article
PubMed
TargetGTPase KRas [G12D](Human)
Mirati Therapeutics

US Patent
LigandPNGBDBM50579601(CHEMBL4858364 | US11453683, Example 252 | 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 Depth
Date in BDB:
12/4/2022
Entry Details
Go to US Patent

TargetGTPase KRas [G12D](Human)
Mirati Therapeutics

US Patent
LigandPNGBDBM50579601(CHEMBL4858364 | US11453683, Example 252 | 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 Depth
Date in BDB:
12/4/2022
Entry Details
Go to US Patent

TargetGTPase KRas(Human)
Usona Institute

Curated by ChEMBL
LigandPNGBDBM50579601(CHEMBL4858364 | US11453683, Example 252 | US202302...)
Affinity DataKd: <0.000200nMAssay Description:Binding affinity to KRAS (unknown origin) assessed as dissociation constantMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/23/2023
Entry Details
PubMed
TargetGTPase KRas [G12D](Human)
Mirati Therapeutics

US Patent
LigandPNGBDBM50579601(CHEMBL4858364 | US11453683, Example 252 | US202302...)
Affinity DataIC50: 0.00200nMAssay 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

TargetPlatelet-derived growth factor receptor alpha/beta(Mouse)
Usona Institute

Curated by ChEMBL
LigandPNGBDBM50579601(CHEMBL4858364 | US11453683, Example 252 | US202302...)
Affinity DataIC50: 2.30nMAssay Description:Inhibition of ERK1/2 phosphorylation in human PANC-1 cells incubated for 3 hrsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/19/2024
Entry Details
PubMed