BDBM651005 12,12,17,18,21-pentafluoro-2- [(3R)-3-methyl-4-(prop-2- enoyl)piperazin-1-yl]-6-(propan- 2-yl)-10,11,12,13-tetrahydro- 4H-1,19-(ethanediylidene) pyrido[4,3-f]pyrimido[1,6-h] [1,8,10]benzoxadiazacyclo- tridecin-4-one::US20240043448, Example 66

SMILES CC(C)c1nccc2CCC(F)(F)COc3ccc(F)c(F)c3-c3nc4n(-c12)c(=O)nc(N1CCN([C@H](C)C1)C(=O)C=C)c4cc3F

InChI Key InChIKey=LMLRNOKKZYYVDY-UHFFFAOYSA-N

Data  1 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 651005   

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

US Patent
LigandPNGBDBM651005(12,12,17,18,21-pentafluoro-2- [(3R)-3-methyl-4-(pr...)
Affinity DataIC50: 5.30nMAssay 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
Go to US Patent