BDBM652855 (P)-7,7-dimethyl-4-(5- methyl-1H-indazol-4-yl)- 2-(2-(2-propenoyl)-2,6- diazaspiro[3,4]octan-6- yl)-5,6,7,8-tetrahydro-3- quinolinecarbonitrile, stereochemistry arbitrarily assigned [1st eluting atropisomer::US20240059703, Example 1-10::US20240059703, Example 1-8

SMILES C=CC(=O)N1CC2(CCN(c3nc4c(c(-c5c(C)ccc6[nH]ncc56)c3C#N)CCC(C)(C)C4)C2)C1

InChI Key InChIKey=VEBWLJQNRYXRTK-UHFFFAOYSA-N

Data  2 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 4 hits for monomerid = 652855   

LigandChemical structure of BindingDB Monomer ID 652855BDBM652855((P)-7,7-dimethyl-4-(5- methyl-1H-indazol-4-yl)- 2-...)
Affinity DataIC50: 14nMAssay Description:Purified GDP-bound KRAS protein (aa 1-169), containing both G12C and C118A amino acid substitutions and an N-terminal His-tag, was pre-incubated in a...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/24/2024
Entry Details
US Patent

TargetGTPase KRas(Human)
Amgen

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 652855BDBM652855((P)-7,7-dimethyl-4-(5- methyl-1H-indazol-4-yl)- 2-...)
Affinity DataIC50: 18nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/6/2026
Entry Details PubMed
LigandChemical structure of BindingDB Monomer ID 652855BDBM652855((P)-7,7-dimethyl-4-(5- methyl-1H-indazol-4-yl)- 2-...)
Affinity DataIC50: 6.70E+3nMAssay Description:Purified GDP-bound KRAS protein (aa 1-169), containing both G12C and C118A amino acid substitutions and an N-terminal His-tag, was pre-incubated in a...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/24/2024
Entry Details
US Patent

TargetGTPase KRas(Human)
Amgen

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 652855BDBM652855((P)-7,7-dimethyl-4-(5- methyl-1H-indazol-4-yl)- 2-...)
Affinity DataIC50: 7.46E+3nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/6/2026
Entry Details PubMed