BDBM432484 N-(1-((2-aminoethyl)sulfonyl)piperidin-4- yl)-5-cyclopropylisoxazole-3-carboxamide::US10577363, Compound 183

SMILES c1c(onc1C(=O)NC2CCN(CC2)S(=O)(=O)CCN)C3CC3

InChI Key InChIKey=AMCHZZBLDUVCGF-UHFFFAOYSA-N

Data  2 IC50

PDB links: 1 PDB ID matches this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 432484   

TargetHistone-lysine N-methyltransferase SMYD3(Human)
Epizyme

US Patent
LigandPNGBDBM432484(N-(1-((2-aminoethyl)sulfonyl)piperidin-4- yl)-5-cy...)
Affinity DataIC50: 1.42E+3nMAssay 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
Go to US Patent
PDB3D3D Structure (crystal)
TargetHistone-lysine N-methyltransferase SMYD3(Human)
Epizyme

US Patent
LigandPNGBDBM432484(N-(1-((2-aminoethyl)sulfonyl)piperidin-4- yl)-5-cy...)
Affinity DataIC50: 398nMAssay Description:Inhibition of recombinant N-terminal FLAG/His-tagged SMYD3 (unknown origin) expressed in baculovirus infected insect cells using 3H-SAM as substrate ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/20/2021
Entry Details Article
PubMedPDB3D3D Structure (crystal)