BDBM651017 2-[(2S,5R)-2,5-dimethyl-4-(prop-2- enoyl)piperazin-1-yl]-17,20-difluoro-12- methyl-6-(propan-2-yl)-11,12-dihydro-4H,10H- 1,18-ethenopyrido[4,3-e]pyrimido[1,6- g][1,7,9]benzoxadiazacyclododecin-4-one (Single Enantiomer, Absolute Configuration of Methyl Unknown)::US20240043448, Example 81

SMILES CC(C)c1nccc2CCC(C)Oc3cccc(F)c3-c3nc4n(-c12)c(=O)nc(N1C[C@@H](C)N(C[C@@H]1C)C(=O)C=C)c4cc3F

InChI Key InChIKey=BOVCILKHBLVEHK-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 = 651017   

TargetGTPase KRas [2-169,G12C,C51S,C80L,C118S](Human)
Merck Sharp & Dohme

US Patent
LigandPNGBDBM651017(2-[(2S,5R)-2,5-dimethyl-4-(prop-2- enoyl)piperazin...)
Affinity DataIC50: 2.90nMAssay Description:Each test compound (10 mM stock in DMSO) is diluted in DMSO to make a 10-point, 3-fold dilution series in a 384-well low dead volume microplate (Labc...More data for this Ligand-Target Pair
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Date in BDB:
4/12/2024
Entry Details
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