BDBM663067 2-((2S)-4-(8-fluoro-2- ((2R,7aS)-2- fluorotetrahydro-1H- pyrrolizin-7a(5H)- yl)methoxy)-7-(1,1a,6,6a- tetrahydrocyclopropa [a]inden-5-yl)pyridinyl [4,3-d]pyrimidin-4-yl)-1-(2- fluoroacryloyl)piperazin- 2-yl)acetonitrile, 1st eluting isomer::US20240109893, Example 879

SMILES F[C@H]1CN2CCC[C@@]2(COc2nc(N3CCN([C@@H](CC#N)C3)C(=O)C(F)=C)c3cnc(c(F)c3n2)-c2cccc3C4CC4Cc23)C1

InChI Key InChIKey=IMCVVGCTXVAANN-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 = 663067   

TargetGTPase KRas [G12C](Human)
Shanghai Kechow Pharma

US Patent
LigandPNGBDBM663067(2-((2S)-4-(8-fluoro-2- ((2R,7aS)-2- fluorotetrahyd...)
Affinity DataIC50: 0.590nMAssay Description:1. Serially 4×-diluted compounds (10 concentration points in total) were separately premixed with KRAS G12C-GDP (ICE, Kras 20191018) in a reaction bu...More data for this Ligand-Target Pair
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Date in BDB:
6/20/2024
Entry Details
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