BDBM321290 N-(1-(2-chloroacetyl)piperidin-4-yl)-5- cyclopropylisoxazole-3-carboxamide::US10179773, Compound 4::US10669243, Compound 4

SMILES c1c(onc1C(=O)NC2CCN(CC2)C(=O)CCl)C3CC3

InChI Key InChIKey=OENTXAYVUCLRJQ-UHFFFAOYSA-N

Data  1 KI  3 IC50  1 Kd

PDB links: 1 PDB ID matches this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 321290   

TargetHistone-lysine N-methyltransferase SMYD3(Human)
Epizyme

US Patent
LigandPNGBDBM321290(N-(1-(2-chloroacetyl)piperidin-4-yl)-5- cyclopropy...)
Affinity DataIC50: 3.35E+4nMAssay 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:
5/16/2019
Entry Details
Go to US Patent
PDB3D3D Structure (crystal)
TargetHistone-lysine N-methyltransferase SMYD3(Human)
Epizyme

US Patent
LigandPNGBDBM321290(N-(1-(2-chloroacetyl)piperidin-4-yl)-5- cyclopropy...)
Affinity DataIC50: 3.35E+4nMAssay Description:The assays were an 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:
2/21/2021
Entry Details
Go to US Patent
PDB3D3D Structure (crystal)
TargetHistone-lysine N-methyltransferase SMYD3(Human)
Epizyme

US Patent
LigandPNGBDBM321290(N-(1-(2-chloroacetyl)piperidin-4-yl)-5- cyclopropy...)
Affinity DataKd:  1.30E+4nMAssay Description:Binding affinity to full length recombinant SMYD3 (unknown origin) overexpressed in Escherichia coli Rosetta cells assessed as dissociation constant ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/17/2024
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetHistone-lysine N-methyltransferase SMYD3(Human)
Epizyme

US Patent
LigandPNGBDBM321290(N-(1-(2-chloroacetyl)piperidin-4-yl)-5- cyclopropy...)
Affinity DataIC50: 370nMAssay Description:Inhibition of full length recombinant SMYD3 (unknown origin) measured at 24 hrsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/17/2024
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetHistone-lysine N-methyltransferase SMYD3(Human)
Epizyme

US Patent
LigandPNGBDBM321290(N-(1-(2-chloroacetyl)piperidin-4-yl)-5- cyclopropy...)
Affinity DataKi:  6.11E+3nMAssay Description:Binding affinity to full length recombinant SMYD3 (unknown origin) overexpressed in Escherichia coli Rosetta cells assessed as inhibition constant me...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/17/2024
Entry Details
PubMedPDB3D3D Structure (crystal)