BDBM699142 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)-7-fluorobenzo[b]thiophene-3-carbonitrile, atropisomer 1 (compound I-11-1)::US20240327425, Compound I-11-2

SMILES Nc1sc2c(F)ccc(-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=VNKRTJGJQAADDR-UHFFFAOYSA-N

Data  1 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 1 hit for monomerid = 699142   

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

US Patent
LigandPNGBDBM699142(2-amino-4-((5aS,6S,9R)-3-chloro-1-fluoro-13-(((2R,...)
Affinity DataIC50: 5.90nMAssay 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