BDBM573552 US11453683, Example 389::US20230279025, Example 389

SMILES COC[C@H]1CC[C@@]2(COc3nc(N4CC5CCC(C4)N5)c4cnc(c(F)c4n3)-c3cc(O)cc4ccccc34)CCCN12

InChI Key InChIKey=XKRDHBDVUXJBCF-UHFFFAOYSA-N

Data  3 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 3 hits for monomerid = 573552   

TargetGTPase KRas [G12D](Human)
Mirati Therapeutics

US Patent
LigandPNGBDBM573552(US11453683, Example 389 | US20230279025, Example 3...)
Affinity DataIC50: 1.40nMAssay 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
LigandPNGBDBM573552(US11453683, Example 389 | US20230279025, Example 3...)
Affinity DataIC50: 1.40nMAssay 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
LigandPNGBDBM573552(US11453683, Example 389 | US20230279025, Example 3...)
Affinity DataIC50: 781nMAssay 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