BDBM50507447 CHEMBL4456598

SMILES CN1CCC[C@H]1COc1nc2CN(CCc2c(n1)N1CCN(CC1)C(=O)C=C)c1cc(O)cc2ccccc12

InChI Key InChIKey=GQSSXKRUKAMOQS-UHFFFAOYSA-N

Data  6 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 6 hits for monomerid = 50507447   

TargetGTPase KRas(Human)
Array Biopharma

Curated by ChEMBL
LigandPNGBDBM50507447(CHEMBL4456598)
Affinity DataIC50: 48nMAssay Description:Inhibition of KRAS G12C mutant in human MIAPaCa2 cells assessed as reduction in ERK phosphorylation measured after 3 hrs by Western blot analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/19/2021
Entry Details Article
PubMed
TargetGTPase KRas(Human)
Array Biopharma

Curated by ChEMBL
LigandPNGBDBM50507447(CHEMBL4456598)
Affinity DataIC50: 1.60E+4nMAssay Description:Inhibition of wild type KRAS in human RKO cells assessed as reduction in ERK phosphorylation measured after 3 hrs by Western blot analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/19/2021
Entry Details Article
PubMed
TargetGTPase KRas(Human)
Array Biopharma

Curated by ChEMBL
LigandPNGBDBM50507447(CHEMBL4456598)
Affinity DataIC50: 1.60E+4nMAssay Description:Inhibition of wild type KRAS in human SNUC5 cells assessed as reduction in ERK phosphorylation measured after 3 hrs by Western blot analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/19/2021
Entry Details Article
PubMed
TargetGTPase KRas(Human)
Array Biopharma

Curated by ChEMBL
LigandPNGBDBM50507447(CHEMBL4456598)
Affinity DataIC50: 1.60E+4nMAssay Description:Inhibition of KRAS G12D mutant in human AGS cells assessed as reduction in ERK phosphorylation measured after 3 hrs by Western blot analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/19/2021
Entry Details Article
PubMed
TargetGTPase KRas(Human)
Array Biopharma

Curated by ChEMBL
LigandPNGBDBM50507447(CHEMBL4456598)
Affinity DataIC50: 70nMAssay Description:Inhibition of KRAS G12C mutant in human NCI-H358 cells assessed as reduction in ERK phosphorylation measured after 3 hrs by Western blot analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/19/2021
Entry Details Article
PubMed
TargetGTPase KRas(Human)
Array Biopharma

Curated by ChEMBL
LigandPNGBDBM50507447(CHEMBL4456598)
Affinity DataIC50: 142nMAssay 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