BDBM50630331 CHEMBL5393883

SMILES Nc1sc2c(F)ccc(-c3cc4nc(OC[C@@]56CCCN5C[C@H](F)C6)nc(N5CC6CCC(C5)N6)c4cc3Cl)c2c1C#N

InChI Key InChIKey=LYMLHSFZRIGKJK-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 = 50630331   

TargetGTPase KRas(Human)
Erasca

Curated by ChEMBL
LigandPNGBDBM50630331(CHEMBL5393883)
Affinity DataIC50: 1.5nMAssay Description:Inhibition of GDP-bound biotinylated-KRAS G12D mutant (1 to 169 residues) (unknown origin) assessed as suppression of SOS1-mediated nucleotide exchan...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/20/2024
Entry Details
PubMed
TargetGTPase KRas(Human)
Erasca

Curated by ChEMBL
LigandPNGBDBM50630331(CHEMBL5393883)
Affinity DataIC50: 12nMAssay Description:Inhibition of wild-type GDP-bound biotinylated-KRAS (unknown origin) assessed as suppression of SOS1-mediated nucleotide exchange by measuring reduct...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/20/2024
Entry Details
PubMed
TargetGTPase KRas(Human)
Erasca

Curated by ChEMBL
LigandPNGBDBM50630331(CHEMBL5393883)
Affinity DataIC50: 43nMAssay Description:Inhibition of KRAS G12D mutant in human ASPC1 cells assessed as reduction in ERK phosphorylation measured after 4 hrs by HTRF assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/20/2024
Entry Details
PubMed