BDBM663069 2-((2S)-4-(8-fluoro-2- ((S)-1-methylpyrrolidin- 2-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 883

SMILES CN1CCC[C@H]1COc1nc(N2CCN([C@@H](CC#N)C2)C(=O)C(F)=C)c2ccc(c(F)c2n1)-c1cccc2C3CC3Cc12

InChI Key InChIKey=DUTKHEXEPJBVCV-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 = 663069   

TargetGTPase KRas [G12C](Human)
Shanghai Kechow Pharma

US Patent
LigandPNGBDBM663069(2-((2S)-4-(8-fluoro-2- ((S)-1-methylpyrrolidin- 2-...)
Affinity DataIC50: 0.490nMAssay 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