BDBM668372 2-((2S)-1-acryloyl- 4-(2'-(((S)-1- methylpyrrolidin- 2-yl)methoxy)- 2,3,5',6'- tetrahydrospiro [indene-1,7'- pyrano[2,3- d]pyrimidin]-4'- yl)piperazin-2- yl)acetonitrile::US20240124478, Example 4a

SMILES CN1CCC[C@H]1COc1nc2O[C@]3(CCc4ccccc34)CCc2c(n1)N1CCN([C@@H](CC#N)C1)C(=O)C=C

InChI Key InChIKey=VUBFFYMGUBJTJF-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 = 668372   

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

US Patent
LigandPNGBDBM668372(US20240124478, Example 4a | 2-((2S)-1-acryloyl- 4-...)
Affinity DataIC50: 14.9nMAssay Description:Biotinylated KRAS G12C protein (SEQ ID NO: 1) is diluted to 2 μM in an EDTA buffer (20 mM HEPES, 150 mM sodium chloride, 10 mM EDTA, and 0.01% T...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/9/2024
Entry Details
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