BDBM293338 Mixture of N- ((1S,2R,4S)-4-((S)- 3-aminobutanamido)- 2-ethylcyclohexyl)-5- ethylisoxazole- 3-carboxamide and N- ((1R,2S,4R)-4-((S)-3- aminobutanamido)- 2-ethylcyclohexyl)-5- ethylisoxazole-3- carboxamide; (1S,2R,4S) isomer depicted::US10106510, Compound 7

SMILES CC[C@@H]1C[C@H](CC[C@@H]1NC(=O)c1cc(CC)on1)NC(=O)C[C@H](C)N

InChI Key InChIKey=DJWZICPHYIYBJT-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 = 293338   

TargetHistone-lysine N-methyltransferase SMYD3(Human)
Epizyme

US Patent
LigandPNGBDBM293338(US10106510, Compound 7 | Mixture of N- ((1S,2R,4S)...)
Affinity DataIC50: 170nMAssay Description:S-adenosylmethionine (SAM), S-adenosylhomocysteine (SAH), Tris, Tween20, dimethylsulfoxide (DMSO), bovine skin gelatin (BSG), and Tris(2-carboxyethyl...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/24/2019
Entry Details
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