BDBM573313 US11453683, Example 49

SMILES O[C@@H]1CC2CN(C[C@H]1N2)c1nc(OCC23CCCN2CCC3)nc2c(F)c(ncc12)-c1cccc2cccc(Cl)c12

InChI Key InChIKey=UFXISIXNZYGHFD-UHFFFAOYSA-N

Data  2 IC50  1 Kd

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 573313   

TargetGTPase KRas [G12D](Human)
Mirati Therapeutics

US Patent
LigandPNGBDBM573313(US11453683, Example 49)
Affinity DataKd:  0.400nMAssay 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
LigandPNGBDBM573313(US11453683, Example 49)
Affinity DataIC50: 5.90nMAssay 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
LigandPNGBDBM573313(US11453683, Example 49)
Affinity DataIC50: 2.12E+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 Depth
Date in BDB:
12/4/2022
Entry Details
US Patent