BDBM50665213 CHEMBL6164314

SMILES O=C1c2cc(ccc2O)S(=O)(=O)/N=C2Sc3c(Cl)ccc(O)c3N2CCCCCCN1C1CCNCC1

InChI Key InChIKey=PAOXKIBKFMZGBF-UHFFFAOYSA-N

Data  1 IC50  2 Kd

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50665213   

TargetGTPase KRas(Human)
CRUK Scotland Institute

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50665213BDBM50665213(CHEMBL6164314)
Affinity DataKd:  350nMAssay Description:Binding affinity to GDP-bound KRAS G12D mutant (unknown origin) assessed as dissociation constant by SPR analysisMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
6/6/2026
Entry Details
PubMed
TargetKRas/Son of Sevenless Homolog 1(Human)
CRUK Scotland Institute

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50665213BDBM50665213(CHEMBL6164314)
Affinity DataIC50: 1.65E+3nMAssay Description:Inhibition of MANT-GDP loaded Kras G12D mutant (1 to 169 residues) (unknown origin)/SOS1 (546 to 1049 residues) (unknown origin) protein-protein inte...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
6/6/2026
Entry Details
PubMed
TargetGTPase KRas(Human)
CRUK Scotland Institute

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50665213BDBM50665213(CHEMBL6164314)
Affinity DataKd:  9.97E+3nMAssay Description:Binding affinity to GMPPNP-bound KRAS G12D mutant (unknown origin) assessed as dissociation constant by SPR analysisMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
6/6/2026
Entry Details
PubMed