BDBM50539763 Adagrasib::Mrtx-849::Mrtx849

SMILES CN1CCC[C@H]1COc1nc2CN(CCc2c(n1)N1CCN([C@@H](CC#N)C1)C(=O)C(F)=C)c1cccc2cccc(Cl)c12

InChI Key InChIKey=PEMUGDMSUDYLHU-UHFFFAOYSA-N

Data  2 KI  6 IC50  1 EC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 9 hits for monomerid = 50539763   

TargetGTPase KRas(Human)
Array Biopharma

Curated by ChEMBL
LigandPNGBDBM50539763(Adagrasib | Mrtx-849 | Mrtx849)
Affinity DataIC50: 14nMAssay Description:Inhibition of KRAS G12C mutant in human NCI-H358 cells assessed as reduction in ERK phosphorylation incubated for 3 hrs by in-cell western methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/12/2021
Entry Details Article
PubMed
TargetGTPase KRas(Human)
Array Biopharma

Curated by ChEMBL
LigandPNGBDBM50539763(Adagrasib | Mrtx-849 | Mrtx849)
Affinity DataIC50: 5nMAssay Description:Inhibition of KRAS G12C mutant in human MIAPaCa2 cells assessed as reduction in ERK phosphorylation incubated for 24 hrs by in-cell western methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/12/2021
Entry Details Article
PubMed
TargetGTPase KRas(Human)
Array Biopharma

Curated by ChEMBL
LigandPNGBDBM50539763(Adagrasib | Mrtx-849 | Mrtx849)
Affinity DataIC50: 10nMAssay Description:Inhibition of KRAS G12C mutant in human MIA PaCa-2 cells assessed as reduction in p-ERK levelsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/25/2022
Entry Details Article
PubMed
LigandPNGBDBM50539763(Adagrasib | Mrtx-849 | Mrtx849)
Affinity DataIC50: 1.30nMAssay Description:Inhibition of CDK7/Cyclin H/MAT1 (unknown origin) in leukemia cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/19/2023
Entry Details
PubMed
TargetGTPase KRas(Human)
Array Biopharma

Curated by ChEMBL
LigandPNGBDBM50539763(Adagrasib | Mrtx-849 | Mrtx849)
Affinity DataEC50:  10nMAssay Description:Inhibition of KRAS (unknown origin) dependent signal transductionMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/24/2023
Entry Details
PubMed
TargetGTPase KRas(Human)
Array Biopharma

Curated by ChEMBL
LigandPNGBDBM50539763(Adagrasib | Mrtx-849 | Mrtx849)
Affinity DataIC50: 5nMAssay Description:Inhibition of biotinylated Avi-His tagged GDP-bound human KRAS G12C mutant (1 to 166 residues) expressed in Escherichia coli assessed as inhibition o...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/15/2024
Entry Details
PubMed
TargetPlatelet-derived growth factor receptor alpha/beta(Mouse)
Sun Yat-Sen University

Curated by ChEMBL
LigandPNGBDBM50539763(Adagrasib | Mrtx-849 | Mrtx849)
Affinity DataIC50: 130nMAssay Description:Inhibition of KRAS G12C mutant/SOS1 (unknown origin) interaction incubated for 2 hrs in presence of GTP by HTRF assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/22/2024
Entry Details
PubMed
TargetGTPase KRas(Human)
Array Biopharma

Curated by ChEMBL
LigandPNGBDBM50539763(Adagrasib | Mrtx-849 | Mrtx849)
Affinity DataKi:  3.70E+3nMAssay Description:Inhibition of recombinant KRAS G12C mutant (unknown origin) assessed as rate of inactivation by LC-MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/12/2021
Entry Details Article
PubMed
TargetGTPase KRas(Human)
Array Biopharma

Curated by ChEMBL
LigandPNGBDBM50539763(Adagrasib | Mrtx-849 | Mrtx849)
Affinity DataKi:  3.70E+3nMAssay Description:Binding affinity to KRAS (unknown origin) assessed as inhibition constantMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/23/2023
Entry Details
PubMed