BDBM672735 5-(2-((5S,8S,11S,15S,18S,23aS,29S,35S,37aS)-8-((S)-sec-butyl)-35-(cyclohexylmethyl)-18-cyclopentyl-11-isobutyl-5,6,12,16,19,33,36-heptamethyl-4,7,10,13,17,20,23,28,31,34,37-undecaoxo-15-(piperidine-1-carbonyl)tetratriacontahydro-2H,4H-spiro[azeto[2,1-u]pyrrolo[2,1-i][1,4,7,10,13,16,19,22,25,28,31]undecaazacyclotetratriacontine-21,1'-cyclopentan]-29-yl)ethyl)-2-(trifluoromethyl)benzonitrile::US20240148821, Compound 2072

SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](CC(C)C)N(C)C(=O)C[C@H](N(C)C(=O)[C@H](C2CCCC2)N(C)C(=O)C2(CCCC2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCc2ccc(c(c2)C#N)C(F)(F)F)NC(=O)CN(C)C(=O)[C@H](CC2CCCCC2)N(C)C(=O)[C@@H]2CCN2C(=O)[C@H](C)N(C)C1=O)C(=O)N1CCCCC1

InChI Key InChIKey=TXGRQNAALREYFK-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 = 672735   

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

US Patent
LigandPNGBDBM672735(5-(2-((5S,8S,11S,15S,18S,23aS,29S,35S,37aS)-8-((S)...)
Affinity DataIC50: 0.420nMAssay 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