BDBM50662104 CHEMBL6165347

SMILES C=C(F)C(=O)N1CCN(c2ncnc3c2CCN(C(=O)OC(C)(C)C)C3)C[C@@H]1CC#N

InChI Key InChIKey=OCWMZVQMNSYVCG-UHFFFAOYSA-N

Data  1 KI  1 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 2 hits for monomerid = 50662104   

TargetGTPase KRas(Human)
HUN-REN Research Centre for Natural Sciences

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50662104BDBM50662104(CHEMBL6165347)
Affinity DataIC50: 1.00E+6nMAssay Description:Binding affinity to human KRAS G12C mutant (1 to 169 residues) extracted from Escherichia coli BL21 cells incubated for 20 to 24 hrs by LC-MS/MS anal...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
6/5/2026
Entry Details
PubMed
TargetGTPase KRas(Human)
HUN-REN Research Centre for Natural Sciences

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50662104BDBM50662104(CHEMBL6165347)
Affinity DataKi:  1.01E+7nMAssay Description:Binding affinity to human KRAS G12C mutant (1 to 169 residues) extracted from Escherichia coli BL21 cells assessed as inhibition constant incubated f...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
6/5/2026
Entry Details
PubMed