BDBM668410 2-((2S)-4-acryloyl-1- (2-methyl-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 26a

SMILES C[C@@H]1Cc2ccccc2[C@@]11CCc2c(O1)nc(OC[C@@H]1CCCN1C)nc2N1CCN([C@@H](CC#N)C1)C(=O)C=C

InChI Key InChIKey=DMNHSQGOAYPSHC-UHFFFAOYSA-N

Data  1 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 668410   

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

US Patent
LigandPNGBDBM668410(US20240124478, Example 26a | 2-((2S)-4-acryloyl-1-...)
Affinity DataIC50: 2.87E+3nMAssay 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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