BDBM672656 (3S,9S,18S,21S,25S,28S,34S,36R)-3-[2-[3-chloro-4-(trifluoromethyl)phenyl]ethyl]-28-cyclohexyl-9-(cyclohexylmethyl)-36-ethoxy-21-isobutyl-7,10,13,16,22,26,29-heptamethyl-18-[(1S)-1-methylpropyl]-25-(3-oxa-8-azabicyclo[3.2.1]octane-8-carbonyl)spiro[1,4,7,10,13,16,19,22,26,29,32-undecazabicyclo[32.3.0]heptatriacontane-31,1'-cyclopentane]-2,5,8,11,14,17,20,23,27,30,33-undecone::US20240148821, Compound 1977

SMILES CCO[C@@H]1C[C@@H]2N(C1)C(=O)[C@H](CCc1ccc(c(Cl)c1)C(F)(F)F)NC(=O)CN(C)C(=O)[C@H](CC1CCCCC1)N(C)C(=O)CN(C)C(=O)CN(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)C[C@H](N(C)C(=O)[C@H](C1CCCCC1)N(C)C(=O)C1(CCCC1)NC2=O)C(=O)N1C2CCC1COC2)[C@@H](C)CC

InChI Key InChIKey=GOJKAISZRFIOLH-UHFFFAOYSA-N

Data  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 1 hit for monomerid = 672656   

TargetGTPase KRas (G12D) and Son of Sevenless Homolog 1 (SOS)(Human)
Chugai Seiyaku Kabushiki Kaisha

US Patent
LigandChemical structure of BindingDB Monomer ID 672656BDBM672656((3S,9S,18S,21S,25S,28S,34S,36R)-3-[2-[3-chloro-4-(...)
Affinity DataIC50: 0.470nMAssay Description:Protein-protein interaction inhibition (PPI) between Kras and SOS1 was measured by energy transfer from nickel-conjugated donor beads to streptavidin...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/8/2024
Entry Details
US Patent