BDBM50585404 CHEMBL5079995::US20230279025, Example 462

SMILES Oc1cc(-c2ncc3c(nc(OCC45CCCN4C(=O)CC5)nc3c2F)N2CC3CCC(C2)N3)c2ccccc2c1

InChI Key InChIKey=FTWYJYVSHVAPGY-UHFFFAOYSA-N

Data  2 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 2 hits for monomerid = 50585404   

TargetGTPase KRas [G12D](Human)
Mirati Therapeutics

US Patent
LigandPNGBDBM50585404(CHEMBL5079995 | US20230279025, Example 462)
Affinity DataIC50: 0.751nMAssay 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)
Mirati Therapeutics

Curated by ChEMBL
LigandPNGBDBM50585404(CHEMBL5079995 | US20230279025, Example 462)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of KRAS G12D mutant in human AGS cells assessed as reduction in ERK phosphorylation measured after 3 hrs by In-Cell Western assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/7/2023
Entry Details Article
PubMed