BDBM293375 Mixture of N- ((1S,2R,4S)-4-((R)-3- aminobutanamido)-2- benzylcyclohexyl)-5- cyclopropylisoxazole-3- carboxamide and N- ((1R,2S,4R)-4-((R)-3- aminobutanamido)-2- benzylcyclohexyl)-5- cyclopropylisoxazole-3- carboxamide; (1S,2R,4S) isomer is depicted.::US10106510, Compound 39

SMILES C[C@@H](N)CC(=O)N[C@H]1CC[C@H](NC(=O)c2cc(on2)C2CC2)[C@H](Cc2ccccc2)C1

InChI Key InChIKey=UMRZOBFZDOPFRH-UHFFFAOYSA-N

Data  1 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 293375   

TargetHistone-lysine N-methyltransferase SMYD3(Human)
Epizyme

US Patent
LigandPNGBDBM293375(US10106510, Compound 39 | Mixture of N- ((1S,2R,4S...)
Affinity DataIC50: 28.6nMAssay 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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