BDBM617000 US20230279025, Example 60

SMILES O[N+]12CCCC1(COc1nc(N3CC4CCC(C3)N4)c3cnc(c(F)c3n1)-c1cccc3cccc(Cl)c13)CCC2

InChI Key InChIKey=UAIGJAAMJLAQRK-UHFFFAOYSA-N

Data  1 IC50  1 Kd

  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 2 hits for monomerid = 617000   

TargetGTPase KRas [G12D](Homo sapiens (Human))
Mirati Therapeutics

US Patent
LigandPNGBDBM617000(US20230279025, Example 60)
Affinity DataIC50:  1.66E+3nMAssay 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
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetGTPase KRas [G12D](Homo sapiens (Human))
Mirati Therapeutics

US Patent
LigandPNGBDBM617000(US20230279025, Example 60)
Affinity DataKd: >1.00E+6nMAssay 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
Ligand InfoPC cidPC sid
In DepthDetails US Patent