BDBM651007 2-[(2S,5R)-2,5-dimethyl-4-(prop- 2-enoyl)piperazin-1-yl]-22-fluoro- 6-(propan-2-yl)-10,11,12,13- tetrahydro-4H-1,20- (ethanediylidene)pyrido [4',3':12,13]pyrimido [1',6':1,2][1,3,7]triaza- cyclotridecino[5,6,7-hi] indazol-4-one::US20240043448, Example 68

SMILES CC(C)c1nccc2CCCCn3ncc4cccc(-c5nc6n(-c12)c(=O)nc(N1C[C@@H](C)N(C[C@@H]1C)C(=O)C=C)c6cc5F)c34

InChI Key InChIKey=NPWIFSQBEYRJHW-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 = 651007   

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

US Patent
LigandPNGBDBM651007(2-[(2S,5R)-2,5-dimethyl-4-(prop- 2-enoyl)piperazin...)
Affinity DataIC50: 4.5nMAssay 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
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Date in BDB:
4/12/2024
Entry Details
US Patent