BDBM663070 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)quinazolin- 4-yl)-1-(2-fluoroacryloyl) piperazin-2- yl)acetonitrile, 1st eluting isomer::US20240109893, Example 887

SMILES F[C@H]1CN2CCC[C@@]2(COc2nc(N3CCN([C@@H](CC#N)C3)C(=O)C(F)=C)c3ccc(c(F)c3n2)-c2cccc3C4CC4Cc23)C1

InChI Key InChIKey=DNOAEEBTFLFPHD-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 = 663070   

TargetGTPase KRas [G12C](Human)
Shanghai Kechow Pharma

US Patent
LigandPNGBDBM663070(2-((2S)-4-(8-fluoro-2- ((2R,7aS)-2- fluorotetrahyd...)
Affinity DataIC50: 1.02nMAssay 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
In Depth
Date in BDB:
6/20/2024
Entry Details
Go to US Patent