BDBM668384 2-((2S)-1-acryloyl- 4-(4-methyl-2'- (((S)-1-methyl- pyrrolidin-2- yl)methoxy)- 3,4,5',6'- tetrahydro-2H- spiro[naphthalene- 1,7'-pyrano[2,3- d]pyrimidin]-4'- yl)piperazin-2- yl)acetonitrile::US20240124478, Example 9d

SMILES C[C@@H]1CC[C@@]2(CCc3c(O2)nc(OC[C@@H]2CCCN2C)nc3N2CCN([C@@H](CC#N)C2)C(=O)C=C)c2ccccc12

InChI Key InChIKey=MPEZGHJDSSOCHS-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 = 668384   

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

US Patent
LigandPNGBDBM668384(US20240124478, Example 9d | 2-((2S)-1-acryloyl- 4-...)
Affinity DataIC50: 149nMAssay 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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