BDBM699134 Synthesis of 2-amino-4-((5aS,6S,9R)-3-chloro-1-fluoro-13-(((2R,7aS)-2-fluorohexahydro-1H-pyrrolizin-7a-yl)methoxy)-5a,6,7,8,9,10-hexahydro-5H-6,9-epiminoazepino[2′,1′:3,4][1,4]oxazepino[5,6,7-de]quinazolin-2-yl)benzo[b]thiophene-3-carbonitrile ditrifluoroacetate ::US20240327425, Compound I-7

SMILES Nc1sc2cccc(-c3c(Cl)c4OC[C@@H]5[C@@H]6CC[C@H](CN5c5nc(OC[C@@]78CCCN7C[C@H](F)C8)nc(c3F)c45)N6)c2c1C#N

InChI Key InChIKey=JCDQGCPGFQADSY-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 = 699134   

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

US Patent
LigandPNGBDBM699134(Synthesis of 2-amino-4-((5aS,6S,9R)-3-chloro-1-flu...)
Affinity DataIC50: 6.59nMAssay 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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