BDBM50517178 CHEMBL4456127::US11053226, Example 114

SMILES Fc1ccc2CN(CCc2c1)C(=O)c1cn(CC(=O)NC2CN(C2)C(=O)C=C)c2ccc(Br)cc12

InChI Key InChIKey=SGFLLRQDMOQUFI-UHFFFAOYSA-N

Data  4 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50517178   

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

US Patent
LigandPNGBDBM50517178(CHEMBL4456127 | US11053226, Example 114)
Affinity DataIC50: 310nMAssay 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
US Patent

TargetGTPase KRas(Human)
Amgen

Curated by ChEMBL
LigandPNGBDBM50517178(CHEMBL4456127 | US11053226, Example 114)
Affinity DataIC50: 1.37E+3nMAssay Description:Inhibition of GDP bound N terminal His-tagged KRAS G12C/C118A mutant (unknown origin) (1 to 169 residues) assessed as reduction in SOS-mediated guani...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/22/2021
Entry Details Article
PubMed
TargetGTPase KRas [1-169,G12C,C118A](Human)
Amgen

US Patent
LigandPNGBDBM50517178(CHEMBL4456127 | US11053226, Example 114)
Affinity DataIC50: 1.37E+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
US Patent

TargetGTPase KRas(Human)
Amgen

Curated by ChEMBL
LigandPNGBDBM50517178(CHEMBL4456127 | US11053226, Example 114)
Affinity DataIC50: 2.80E+4nMAssay Description:Inhibition of KRAS G12C mutant in human MIAPaCa2 cells assessed as reduction in EGF-induced ERK1/2 phosphorylation incubated for 4 hrs followed by EG...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/22/2021
Entry Details Article
PubMed