BDBM516036 US11053226, Example 126

SMILES COc1cccc2CN(CCc12)C(=O)c1c(C)n(C(C)C(=O)NC2CN(C2)C(=O)C=C)c2ccc(Cl)cc12

InChI Key InChIKey=FQPWYCGEIVRJFC-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 = 516036   

TargetGTPase KRas [1-169,G12C,C118A](Human)
Amgen

US Patent
LigandPNGBDBM516036(US11053226, Example 126)
Affinity DataIC50: 1.12E+4nMAssay Description:Purified GDP-bound KRAS protein (aa 1-169), containing both G12C and C118A amino acid substitutions and an N-terminal His-tag, was pre-incubated in a...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/13/2022
Entry Details
Go to US Patent

TargetGTPase KRas [1-169,G12C,C118A](Human)
Amgen

US Patent
LigandPNGBDBM516036(US11053226, Example 126)
Affinity DataIC50: 1.54E+3nMAssay Description:Purified GDP-bound KRAS protein (aa 1-169), containing both G12C and C118A amino acid substitutions and an N-terminal His-tag, was pre-incubated in a...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/13/2022
Entry Details
Go to US Patent

TargetGTPase KRas [1-169,G12C,C118A](Human)
Amgen

US Patent
LigandPNGBDBM516036(US11053226, Example 126)
Affinity DataIC50: 110nMAssay Description:Purified GDP-bound KRAS protein (aa 1-169), containing both G12C and C118A amino acid substitutions and an N-terminal His-tag, was pre-incubated in a...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/13/2022
Entry Details
Go to US Patent