BDBM650979 US20240043448, Example 14a::[(2S)-4-[17,20-difluoro-4- oxo-6-(propan-2-yl)-11,12- dihydro-4H-1,18- (ethanediylidene)pyrido[4,3- e]pyrimido[1,6-g][1,4,7,9] benzodioxadiazacyclo- dodecin-2-yl]-1-(prop-2- enoyl)piperazin-2- yl]acetonitrile

SMILES C=CC(=O)N1CCN(C2=NC(=O)N3c4c(ccnc4C(C)C)OCCOc4cccc(F)c4C4=C(F)C=C2C3N4)C[C@@H]1CC#N

InChI Key InChIKey=PVEIFCYIWYBLEE-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 = 650979   

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

US Patent
LigandChemical structure of BindingDB Monomer ID 650979BDBM650979([(2S)-4-[17,20-difluoro-4- oxo-6-(propan-2-yl)-11,...)
Affinity DataIC50: 8.10nMAssay 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
In Depth
Date in BDB:
4/12/2024
Entry Details
US Patent