BDBM671438 (3S,6R,9S,18S,21S,25R,28S,34S)-9-benzyl-3-[2-[3-chloro-4-(trifluoromethyl)phenyl]ethyl]-28-cyclopentyl-6,7,10,13,16,21,22,25,29-nonamethyl-18-[(1S)-1-methylpropyl]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 482

SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](C)N(C)C(=O)C[C@@H](C)NC(=O)[C@H](C2CCCC2)N(C)C(=O)C2(CCCC2)NC(=O)C2CCCN2C(=O)[C@H](CCc2ccc(c(Cl)c2)C(F)(F)F)NC(=O)[C@@H](C)N(C)C(=O)[C@H](Cc2ccccc2)N(C)C(=O)CN(C)C(=O)CN(C)C1=O

InChI Key InChIKey=NTIRQDRIBLZWAX-UHFFFAOYSA-N

Data  1 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 671438   

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

US Patent
LigandPNGBDBM671438((3S,6R,9S,18S,21S,25R,28S,34S)-9-benzyl-3-[2-[3-ch...)
Affinity DataIC50: 170nMAssay 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