BDBM50668629 CHEMBL6189856

SMILES O=C1O[C@H]2CN(c3nc(OCC45CCCN4CCC5)nc4c3CCN(c3cccc5cccc(Cl)c35)C4)CC[C@@H]12

InChI Key InChIKey=UFLUJEQWOUFLDK-UHFFFAOYSA-N

Data  1 KI  1 IC50

  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 2 hits for monomerid = 50668629   

TargetGTPase KRas(Human)
Shengjing Hospital of China Medical University

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50668629BDBM50668629(CHEMBL6189856)
Affinity DataIC50: 2.40E+3nMAssay Description:Inhibition of KRAS G12S mutant in human A549 cells assessed as reduction in ERK phosphorylationMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
6/6/2026
Entry Details
PubMed
TargetGTPase KRas(Human)
Shengjing Hospital of China Medical University

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50668629BDBM50668629(CHEMBL6189856)
Affinity DataKi:  2.60E+4nMAssay Description:Binding affinity to human recombinant GDP-bound KRAS G12S mutant (1 to 169 residues) assessed as inhibition constantMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
6/6/2026
Entry Details
PubMed