BDBM676756 2-[(3R,8R)-2,5-dioxa-9,15,17-triazatetracyclo[8.7.0.0{}{3,8}.0{}{12,16}]heptadeca-1(10),11,13,16-tetraen-9-yl]-4-{2-[(2S)-2-(2-isopropoxyphenyl)pyrrolidin-1-yl]-7-azaspiro[3.5]nonan-7-yl}-N-{3-nitro-4-[(oxan-4-ylmethyl)amino]benzenesulfonyl}benzamide::US20240166646, Example 64

SMILES CC(C)Oc1ccccc1[C@@H]1CCCN1C1CC2(C1)CCN(CC2)c1ccc(C(=O)NS(=O)(=O)c2ccc(NCC3CCOCC3)c(c2)[N+]([O-])=O)c(c1)N1[C@@H]2CCOC[C@@H]2Oc2nc3[nH]ccc3cc12

InChI Key InChIKey=YVSYMOJTFQJCAZ-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 = 676756   

TargetApoptosis regulator Bcl-2(Human)
Newave Pharmaceutical

US Patent
LigandPNGBDBM676756(2-[(3R,8R)-2,5-dioxa-9,15,17-triazatetracyclo[8.7....)
Affinity DataIC50: 0.341nMAssay Description:The fluorescence-labeled 23 amino acid peptide BH3 was purchased from CalBiochem (NLWAAQRYGRELRRMSDKFVD). An unbound Fluorescein labeled BH3 peptide ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/26/2024
Entry Details
Go to US Patent