BDBM378494 N-((1R,3R,5S)-8-(((1r,4R)-4-(benzylamino)cyclohexyl)sulfonyl)-8-azabicyclo[3.2.1]octan-3-yl)-2,2-difluorobenzo[d][1,3]dioxole-5-carboxamide::US10266526, Compound 627

SMILES FC1(F)Oc2ccc(cc2O1)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2S(=O)(=O)[C@H]1CC[C@@H](CC1)NCc1ccccc1

InChI Key InChIKey=YFBCLRKTOBNARX-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 = 378494   

TargetHistone-lysine N-methyltransferase SMYD3(Human)
Epizyme

US Patent
LigandPNGBDBM378494(US10266526, Compound 627 | N-((1R,3R,5S)-8-(((1r,4...)
Affinity DataIC50: 225nMAssay 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:
2/7/2020
Entry Details
US Patent