BDBM50614270 CHEMBL5290459

SMILES Oc1cc(Cl)c(C2CC2)c(c1)-c1ncc2c(nc(OC[C@@]34CCCN3C[C@H](F)C4)nc2c1F)N1CCCC2(CCO2)C1

InChI Key InChIKey=UOFIDBDQKPLOIA-UHFFFAOYSA-N

Data  3 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 3 hits for monomerid = 50614270   

TargetGTPase KRas(Human)
Usona Institute

Curated by ChEMBL
LigandPNGBDBM50614270(CHEMBL5290459)
Affinity DataIC50: 1nMAssay Description:Inhibition of His-tagged KRAS G12D mutant (unknown origin) using biotinylated KRPep-2d as substrate preincubated for 30 mins followed by substrate ad...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/22/2024
Entry Details
PubMed
TargetGTPase KRas(Human)
Usona Institute

Curated by ChEMBL
LigandPNGBDBM50614270(CHEMBL5290459)
Affinity DataIC50: 2nMAssay Description:Inhibition of N-terminal His-tagged GDP-bound KRAS G12D mutant (1 to 169 residues) (unknown origin) assessed as inhibition of SOS mediated nucleotide...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/22/2024
Entry Details
PubMed
TargetGTPase KRas(Human)
Usona Institute

Curated by ChEMBL
LigandPNGBDBM50614270(CHEMBL5290459)
Affinity DataIC50: 66nMAssay Description:Inhibition of KRAS G12D mutant in human ASPC1 cells assessed as reduction in ERK1/2 phosphorylation level incubated for 2 hrs by MSD assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/22/2024
Entry Details
PubMed