BDBM699119 Synthesis of 5-ethynyl-4-((5aR,6R,9S)-1-fluoro-12-(((2R,7aS)-2-fluorohexahydro-1H-pyrrolizin-7a(5H)-yl)methoxy)-5a,6,7,8,9,10-hexahydro-5H-4-oxa-3,10a,11,13,14-pentaaza-6,9-methanonaphtho[1,8-ab]heptan-2-yl)naphthalen-2-ol ditrifluoroacetate ::US20240327425, Compound I-5

SMILES Oc1cc(-c2nc3OC[C@H]4[C@H]5CC[C@@H](CN4c4nc(OC[C@@]67CCCN6C[C@H](F)C7)nc(c2F)c34)N5)c2c(cccc2c1)C#C

InChI Key InChIKey=CDXXABBZIBCPPD-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 = 699119   

TargetGTPase KRas [G12D](Human)
Shanghai De Novo Pharmatech

US Patent
LigandPNGBDBM699119(Synthesis of 5-ethynyl-4-((5aR,6R,9S)-1-fluoro-12-...)
Affinity DataIC50: 25.4nMAssay Description:The binding ability of the compound to KRAS G12D protein was detected by TR-FRET method, and the inhibitory activity of the compound on KRAS G12D pro...More data for this Ligand-Target Pair
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Date in BDB:
2/3/2025
Entry Details
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