BDBM707838 (1r,2R,3S)-N-[(7S,13S)-(20M)-20-[2-[(1S)-1-methoxyethyl]-5-(4-methylpiperazin-1-yl)-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 24

SMILES CO[C@@H](C)c1ncc(N2CCN(C)CC2)cc1-c1c2c3cc(cc4c3n1CCC4)-c1csc(n1)C[C@H](NC(=O)[C@H]1[C@H](C)[C@@H]1C)C(=O)N1CCC[C@H](N1)C(=O)OCC(C)(C)C2

InChI Key InChIKey=WPLDTXDHWYZCGG-UHFFFAOYSA-N

Data  3 IC50  1 Kd

  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 4 hits for monomerid = 707838   

LigandPNGBDBM707838((1r,2R,3S)-N-[(7S,13S)-(20M)-20-[2-[(1S)-1-methoxy...)
Affinity DataIC50: 9.70nMAssay 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

LigandPNGBDBM707838((1r,2R,3S)-N-[(7S,13S)-(20M)-20-[2-[(1S)-1-methoxy...)
Affinity DataIC50: 4.95E+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

LigandPNGBDBM707838((1r,2R,3S)-N-[(7S,13S)-(20M)-20-[2-[(1S)-1-methoxy...)
Affinity DataIC50: 7.10E+3nMAssay 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

TargetPeptidyl-prolyl cis-trans isomerase A(Human)
Hoffmann-La Roche

US Patent
LigandPNGBDBM707838((1r,2R,3S)-N-[(7S,13S)-(20M)-20-[2-[(1S)-1-methoxy...)
Affinity DataKd:  13nMAssay Description:All SPR experiments were conducted on a Biacore 8K+ instrument (Cytiva). Recombinant biotinylated CYPA protein with a C-terminal AVI tag was purified...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