BDBM707899 (1S,2S)-N-[(7S,13S)-(20M)-20-[5-[(9αS)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl]-2-[(1S)-1-methoxyethyl]-3-pyridyl]-17,17-dimethyl-8,14-dioxo-15-oxa-4-thia-9,21,30,31-tetrazahexacyclo[23.3.1.12,5.19,13.019,27.021,26]hentriaconta-1 (28),2,5 (31),19,25 ::US20240417410, Example 104

SMILES CO[C@@H](C)c1ncc(N2CCN3CCOC[C@@H]3C2)cc1-c1c2c3cc(cc4c3n1CCC4)-c1csc(n1)C[C@H](NC(=O)[C@H]1C[C@@H]1c1cccnc1)C(=O)N1CCC[C@H](N1)C(=O)OCC(C)(C)C2

InChI Key InChIKey=GLSGWAUXYSGTOT-UHFFFAOYSA-N

Data  3 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 3 hits for monomerid = 707899   

LigandPNGBDBM707899((1S,2S)-N-[(7S,13S)-(20M)-20-[5-[(9αS)-3,4,6,7,9,9...)
Affinity DataIC50: 9.80nMAssay Description:In this example, TR-FRET was also used to measure the compound or compound-CYPA dependent disruption of the KRAS G12C-BRAF complex. This protocol was...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
5/1/2025
Entry Details
Go to US Patent

LigandPNGBDBM707899((1S,2S)-N-[(7S,13S)-(20M)-20-[5-[(9αS)-3,4,6,7,9,9...)
Affinity DataIC50: 1.03E+5nMAssay Description:In this example, TR-FRET was also used to measure the compound or compound-CYPA dependent disruption of the KRAS G12C-BRAF complex. This protocol was...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
5/1/2025
Entry Details
Go to US Patent

LigandPNGBDBM707899((1S,2S)-N-[(7S,13S)-(20M)-20-[5-[(9αS)-3,4,6,7,9,9...)
Affinity DataIC50: 2.21E+4nMAssay Description:In this example, TR-FRET was also used to measure the compound or compound-CYPA dependent disruption of the KRAS G12C-BRAF complex. This protocol was...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
5/1/2025
Entry Details
Go to US Patent