BDBM650977 2-[(2S,5R)-2,5-dimethyl-4- (prop-2-enoyl)piperazin-1-yl]- 12,12,18,21-tetrafluoro-6- (propan-2-yl)-12,13-dihydro- 4H,11H-1,19- (ethanediylidene)pyrido [4,3-f]pyrimido[1,6-h] [1,5,8,10]benzodioxadiaza- cyclotridecin-4-one::US20240043448, Example 13a::US20240043448, Example 13b

SMILES CC(C)c1nccc2OCC(F)(F)COc3cccc(F)c3-c3nc4n(-c12)c(=O)nc(N1C[C@@H](C)N(C[C@@H]1C)C(=O)C=C)c4cc3F

InChI Key InChIKey=BCHOMJPTOXQVEK-UHFFFAOYSA-N

Data  2 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 2 hits for monomerid = 650977   

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

US Patent
LigandPNGBDBM650977(US20240043448, Example 13a | US20240043448, Exampl...)
Affinity DataIC50: 7.20nMAssay 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

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

US Patent
LigandPNGBDBM650977(US20240043448, Example 13a | US20240043448, Exampl...)
Affinity DataIC50: 8.54E+3nMAssay 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