BDBM543887 (1S,3'R,6'S,7'S,11'S,12'R)- 6-chloro-11',12'- dimethyl-7'-(((9aS)-8- (methylsulfonyl)octahy- dro-2H-pyrazino[1,2- a]pyrazin-2-yl)methyl)- 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::US11279712, Example 20::US11279712, Example 30

SMILES C[C@H]1CCC[C@H](CN2CCN3CCN(C[C@@H]3C2)S(C)(=O)=O)[C@@H]2CC[C@H]2CN2C[C@@]3(CCCc4cc(Cl)ccc34)COc3ccc(cc23)C(=O)NS(=O)(=O)[C@@H]1C

InChI Key InChIKey=XLFIOQOLHPGZJT-UHFFFAOYSA-N

Data  2 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 543887   

LigandPNGBDBM543887(US11279712, Example 30 | (1S,3'R,6'S,7'S,11'S,12'R...)
Affinity DataIC50: 1.16nMAssay 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
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LigandPNGBDBM543887(US11279712, Example 30 | (1S,3'R,6'S,7'S,11'S,12'R...)
Affinity DataIC50: 0.516nMAssay 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
Go to US Patent