BDBM699149 2-amino-4-((5aS,6S,9R)-3-chloro-1-fluoro-13-(1-((2R,7aS)-2-fluorohexahydro-1H-pyrrolizin-7a-yl)ethoxy)-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 ::BDBM699150::US20240327425, Compound I-17

SMILES CC(Oc1nc2N3C[C@H]4CC[C@H](N4)[C@H]3COc3c(Cl)c(c(F)c(n1)c23)-c1cccc2sc(N)c(C#N)c12)[C@@]12CCCN1C[C@H](F)C2

InChI Key InChIKey=BDKLAVHFZVYACN-UHFFFAOYSA-N

Data  2 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 2 hits for monomerid = 699149   

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

US Patent
LigandPNGBDBM699149(2-amino-4-((5aS,6S,9R)-3-chloro-1-fluoro-13-(1-((2...)
Affinity DataIC50: 7.77nMAssay 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
In Depth
Date in BDB:
2/3/2025
Entry Details
Go to US Patent

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

US Patent
LigandPNGBDBM699149(2-amino-4-((5aS,6S,9R)-3-chloro-1-fluoro-13-(1-((2...)
Affinity DataIC50: 646nMAssay 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
In Depth
Date in BDB:
2/3/2025
Entry Details
Go to US Patent