BDBM650997 2-[(2S,5R)-2,5-dimethyl-4-(prop- 2-enoyl)piperazin-1-yl]- 12,12,17,18,21-pentafluoro-6- (propan-2-yl)-10,11,12,13- tetrahydro-4H-1,19- (ethanediylidene)dipyrimido [4,5-f:1',6'-h][1,8,10] benzoxadiazacyclo- tridecin-4-one::US20240043448, Example 58

SMILES CC(C)c1ncnc2CCC(F)(F)COc3ccc(F)c(F)c3-c3nc4n(-c12)c(=O)nc(N1C[C@@H](C)N(C[C@@H]1C)C(=O)C=C)c4cc3F

InChI Key InChIKey=FQTRRGWREOCYFQ-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 = 650997   

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

US Patent
LigandPNGBDBM650997(2-[(2S,5R)-2,5-dimethyl-4-(prop- 2-enoyl)piperazin...)
Affinity DataIC50: 0.740nMAssay 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
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