BDBM708819 (3aR,11aS)-6,10-Dimethyl-1-(6-methyl-4-(trifluoromethyl)pyridin-2-yl)-5-(2-(4-methylpiperazin-1-yl)ethyl)-1,3a,4,5,10,11a-hexahydro-2H-benzo[b]pyrrolo[2,3-f][1,4]diazocine-2,11(3H)-dione::US20240425511, Example 1

SMILES Cc1cc(C(F)(F)F)cc(N2C(=O)C[C@@H]3CN(CCN4CCN(C)CC4)c4c(C)cccc4N(C)C(=O)[C@H]32)n1

InChI Key InChIKey=JCATVBJYPBKEFM-UHFFFAOYSA-N

Data  1 KI

  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 = 708819   

TargetDNA polymerase theta [1820-2590](Homo sapiens (Human))
Artios Pharma

US Patent
LigandPNGBDBM708819((3aR,11aS)-6,10-Dimethyl-1-(6-methyl-4-(trifluorom...)
Affinity DataKi:  1.27nMAssay Description:Assay measurements were performed with 1× buffer comprising 25 mM Tris pH 7.5, 12.5 mM NaCl, 0.5 mM NaCl, 5% (v/v) glycerol, 0.01% v/v Triton x-100, ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
5/7/2025
Entry Details
Go to US Patent