BDBM699160 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)-1H-benzo[4,5]thieno[2,3-c]pyrazol-3-amine, atropisomer 1 (compound I-26-1)::US20240327425, Compound I-26-2

SMILES Nc1n[nH]c2sc3cccc(-c4c(Cl)c5OC[C@@H]6[C@@H]7CC[C@H](CN6c6nc(OC[C@@]89CCCN8C[C@H](F)C9)nc(c4F)c56)N7)c3c12

InChI Key InChIKey=BMJAYXCDBXUBBS-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 = 699160   

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

US Patent
LigandPNGBDBM699160(4-((5aS,6S,9R)-3-chloro-1-fluoro-13-(((2R,7aS)-2-f...)
Affinity DataIC50: 11nMAssay 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