BDBM543904 (1S,3'R,6'R,7'S,8'E, 11'S,12'R)- 6-chloro-7'-((9aS)- hexahydropyrazino[2,1- c][1,4]oxazin-8(1H)- yl)methyl)-11',12'- dimethyl-3,4-dihydro- 2H,15'H- spiro[naphthalene-1,22'- [20]oxa[13]thia[1,14]di- azatetracyclo[14.7.2.0~3, 6~.0~19,24~]pentacosa [16,18,24]trien]-15'-one 13',13'-dioxide OR::US11279712, Example 37

SMILES C[C@H]1C\C=C\[C@H](CN2CCN3CCOC[C@@H]3C2)[C@@H]2CC[C@H]2CN2C[C@@]3(CCCc4cc(Cl)ccc34)COc3ccc(cc23)C(=O)NS(=O)(=O)[C@@H]1C

InChI Key InChIKey=YSDQOHKOJYGCCL-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 = 543904   

LigandPNGBDBM543904((1S,3'R,6'R,7'S,8'E, 11'S,12'R)- 6-chloro-7'-((9aS...)
Affinity DataIC50: 0.288nMAssay Description:The inhibition of the Mcl-1/Bim interaction was measured using a time-resolved fluorescence resonance energy transfer (TR-FRET) assay. The recombinan...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/10/2022
Entry Details
US Patent