BDBM650968 22-fluoro-2-[(2S)-2-methyl- 4-(prop-2-enoyl)piperazin- 1-yl]-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]triazacyclo- tridecino[5,6,7-hi]indazol- 4-one::US20240043448, Example 6

SMILES CC(C)c1nccc2CCCCn3ncc4cccc(-c5nc6n(-c12)c(=O)nc(N1CCN(C[C@@H]1C)C(=O)C=C)c6cc5F)c34

InChI Key InChIKey=CTSOLTUXSNBBBZ-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 = 650968   

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

US Patent
LigandPNGBDBM650968(22-fluoro-2-[(2S)-2-methyl- 4-(prop-2-enoyl)pipera...)
Affinity DataIC50: 9.20nMAssay 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