BDBM516087 US11053226, Example 177

SMILES CCc1ccccc1NC(=O)CCNC(=O)c1cn(CC(=O)NC2CN(C2)C(=O)C=C)c2c(C)cc(Br)cc12

InChI Key InChIKey=IRKRMMLCLMQFRQ-UHFFFAOYSA-N

Data  2 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 2 hits for monomerid = 516087   

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

US Patent
LigandPNGBDBM516087(US11053226, Example 177)
Affinity DataIC50: 430nMAssay 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
LigandPNGBDBM516087(US11053226, Example 177)
Affinity DataIC50: 170nMAssay 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