BDBM650996 (5aSa,17aRa)-20-chloro-2- [(2S,5R)-2,5-dimethyl-4- (prop-2-enoyl)piperazin- 1-yl]-16,17-difluoro-6- (propan-2-yl)-11,12- di[(2H)hydro](11,12-2H2)-4H- 1,18-(ethanediylidene)pyrido [4,3-e]pyrimido[1,6-g] [1,4,7,9]benzodioxadiaza- cyclododecin-4-one::US20240043448, Example 57

SMILES C=CC(=O)N1C[C@@H](C)N(c2nc(=O)n3c4nc(c(Cl)cc24)-c2c(ccc(F)c2F)OCCOc2ccnc(C(C)C)c2-3)C[C@@H]1C

InChI Key InChIKey=WXFHOTORNKCYPL-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 = 650996   

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

US Patent
LigandChemical structure of BindingDB Monomer ID 650996BDBM650996((5aSa,17aRa)-20-chloro-2- [(2S,5R)-2,5-dimethyl-4-...)
Affinity DataIC50: 0.510nMAssay 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