BDBM50573426 CHEMBL4867096::US20240190862, Example 20

SMILES CCOC(=O)[C@@H]1O[C@H]1C(=O)N1CCN([C@@H](C)C1)c1nc(=O)n(-c2c(C)ccnc2C(C)C)c2nc(c(Cl)cc12)-c1ccccc1F

InChI Key InChIKey=AFIYRNYNWQYKSR-UHFFFAOYSA-N

Data  8 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 8 hits for monomerid = 50573426   

TargetGTPase KRas(Human)
Usona Institute

Curated by ChEMBL
LigandPNGBDBM50573426(CHEMBL4867096 | US20240190862, Example 20)
Affinity DataIC50: 216nMAssay Description:Inhibition of GDP-bound KRAS G12C mutant (1 to 169 residues) (unknown origin) assessed as inhibition of SOS-mediated nucleotide exchange pretreated w...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/23/2022
Entry Details Article
PubMed
TargetGTPase KRas(Human)
Usona Institute

Curated by ChEMBL
LigandPNGBDBM50573426(CHEMBL4867096 | US20240190862, Example 20)
Affinity DataIC50: 5nMAssay Description:Inhibition of GDP-bound KRAS G12C mutant (1 to 169 residues) (unknown origin) assessed as inhibition of SOS-mediated nucleotide exchange pretreated w...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/23/2022
Entry Details Article
PubMed
TargetGTPase KRas(Human)
Usona Institute

Curated by ChEMBL
LigandPNGBDBM50573426(CHEMBL4867096 | US20240190862, Example 20)
Affinity DataIC50: 96nMAssay Description:Inhibition of KRAS G12C mutant in human MIA PaCa-2 cells assessed as reduction in phosphorylated ERK1/2 level incubated for 2 hrs by MSD assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/23/2022
Entry Details Article
PubMed
TargetGTPase KRas [1-169,G12C,C118A](Human)
Amgen

US Patent
LigandPNGBDBM50573426(CHEMBL4867096 | US20240190862, Example 20)
Affinity DataIC50: 216nMAssay Description:Purified GDP-bound KRAS protein (aa 1-169), containing either G12C or G12D, as well as C118A amino acid substitutions and an N-terminal His-tag, was ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/8/2024
Entry Details
Go to US Patent

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

US Patent
LigandPNGBDBM50573426(CHEMBL4867096 | US20240190862, Example 20)
Affinity DataIC50: 5nMAssay Description:Purified GDP-bound KRAS protein (aa 1-169), containing either G12C or G12D, as well as C118A amino acid substitutions and an N-terminal His-tag, was ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/8/2024
Entry Details
Go to US Patent

TargetGTPase KRas [1-169,G12D](Human)
Amgen

US Patent
LigandPNGBDBM50573426(CHEMBL4867096 | US20240190862, Example 20)
Affinity DataIC50: 2.50E+5nMAssay Description:Purified GDP-bound KRAS protein (aa 1-169), containing either G12C or G12D, as well as C118A amino acid substitutions and an N-terminal His-tag, was ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/8/2024
Entry Details
Go to US Patent

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

US Patent
LigandPNGBDBM50573426(CHEMBL4867096 | US20240190862, Example 20)
Affinity DataIC50: 1.00E+3nMAssay Description:Purified GDP-bound KRAS protein (aa 1-169), containing either G12C or G12D, as well as C118A amino acid substitutions and an N-terminal His-tag, was ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/8/2024
Entry Details
Go to US Patent

TargetGTPase KRas [1-169,G12D](Human)
Amgen

US Patent
LigandPNGBDBM50573426(CHEMBL4867096 | US20240190862, Example 20)
Affinity DataIC50: 2.50E+5nMAssay Description:Purified GDP-bound KRAS protein (aa 1-169), containing either G12C or G12D, as well as C118A amino acid substitutions and an N-terminal His-tag, was ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/8/2024
Entry Details
Go to US Patent