BDBM433084 5-ethyl-N-((1R,3R,5S)-8-(((1r,4R)-4-((2- hydroxyethyl)amino)cyclohexyl)sulfonyl)- 8-azabicyclo[3.2.1]octan-3-yl)isoxazole-3- carboxamide::US10577363, Compound 788

SMILES CCc1cc(no1)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2S(=O)(=O)[C@H]1CC[C@@H](CC1)NCCO

InChI Key InChIKey=JBMYUKIYMWAUGD-UHFFFAOYSA-N

Data  1 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 433084   

TargetHistone-lysine N-methyltransferase SMYD3(Human)
Epizyme

US Patent
LigandPNGBDBM433084(US10577363, Compound 788 | 5-ethyl-N-((1R,3R,5S)-8...)
Affinity DataIC50: 1.42nMAssay Description:The assays were all performed in a buffer consisting of 25 mM Tris-Cl pH 8.0, 1 mM TCEP, 0.005% BSG, and 0.005% Tween 20, prepared on the day of use....More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/20/2020
Entry Details
US Patent