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Patent code US10179773

Compile Data Set for Download or QSAR
Found 10 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Histone-lysine N-methyltransferase SMYD3


(Homo sapiens (Human))
BDBM321293
PNG
(5-cyclopropyl-N-((2R)-2-methyl-1- (vinylsulfonyl)p...)
Show SMILES C[C@@H]1CC(CCN1S(=O)(=O)C=C)NC(=O)c1cc(on1)C1CC1
Show InChI InChI=1S/C15H21N3O4S/c1-3-23(20,21)18-7-6-12(8-10(18)2)16-15(19)13-9-14(22-17-13)11-4-5-11/h3,9-12H,1,4-8H2,2H3,(H,16,19)/t10-,12?/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
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PC cid
PC sid
UniChem
US Patent
n/an/a 3.68E+3n/an/an/an/an/an/a



EPIZYME, INC.

US Patent


Assay 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....


US Patent US10179773 (2019)

More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase SMYD3


(Homo sapiens (Human))
BDBM321292
PNG
(5-cyclopropyl-N-((2S)-2-methyl-1- (vinylsulfonyl)p...)
Show SMILES C[C@H]1CC(CCN1S(=O)(=O)C=C)NC(=O)c1cc(on1)C1CC1
Show InChI InChI=1S/C15H21N3O4S/c1-3-23(20,21)18-7-6-12(8-10(18)2)16-15(19)13-9-14(22-17-13)11-4-5-11/h3,9-12H,1,4-8H2,2H3,(H,16,19)/t10-,12?/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 5.28E+3n/an/an/an/an/an/a



EPIZYME, INC.

US Patent


Assay 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....


US Patent US10179773 (2019)

More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase SMYD3


(Homo sapiens (Human))
BDBM321294
PNG
(5-cyclopropyl-N-((1s,4s)-4- (vinylsulfonamido)cycl...)
Show SMILES C=CS(=O)(=O)N[C@@H]1CC[C@@H](CC1)NC(=O)c1cc(on1)C1CC1
Show InChI InChI=1S/C15H21N3O4S/c1-2-23(20,21)18-12-7-5-11(6-8-12)16-15(19)13-9-14(22-17-13)10-3-4-10/h2,9-12,18H,1,3-8H2,(H,16,19)/t11-,12+
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a>1.00E+4n/an/an/an/an/an/a



EPIZYME, INC.

US Patent


Assay 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....


US Patent US10179773 (2019)

More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase SMYD3


(Homo sapiens (Human))
BDBM321287
PNG
(5-cyclopropyl-N-(1- (vinylsulfonyl)azetidin-3-yl) ...)
Show SMILES C=CS(=O)(=O)N1CC(C1)NC(=O)c1cc(on1)C1CC1
Show InChI InChI=1S/C12H15N3O4S/c1-2-20(17,18)15-6-9(7-15)13-12(16)10-5-11(19-14-10)8-3-4-8/h2,5,8-9H,1,3-4,6-7H2,(H,13,16)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a>1.00E+4n/an/an/an/an/an/a



EPIZYME, INC.

US Patent


Assay 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....


US Patent US10179773 (2019)

More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase SMYD3


(Homo sapiens (Human))
BDBM321288
PNG
(5-cyclopropyl-N-((1r,4r)-4- (vinylsulfonamido)cycl...)
Show SMILES C=CS(=O)(=O)N[C@H]1CC[C@@H](CC1)NC(=O)c1cc(on1)C1CC1
Show InChI InChI=1S/C15H21N3O4S/c1-2-23(20,21)18-12-7-5-11(6-8-12)16-15(19)13-9-14(22-17-13)10-3-4-10/h2,9-12,18H,1,3-8H2,(H,16,19)/t11-,12-
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 3.10E+4n/an/an/an/an/an/a



EPIZYME, INC.

US Patent


Assay 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....


US Patent US10179773 (2019)

More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase SMYD3


(Homo sapiens (Human))
BDBM321295
PNG
(5-cyclopropyl-N-(1- (vinylsulfonyl)piperidin-4-yl)...)
Show SMILES C=CS(=O)(=O)N1CCC(CC1)NC(=O)c1cc(on1)C1CC1
Show InChI InChI=1S/C14H19N3O4S/c1-2-22(19,20)17-7-5-11(6-8-17)15-14(18)12-9-13(21-16-12)10-3-4-10/h2,9-11H,1,3-8H2,(H,15,18)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 3.17E+4n/an/an/an/an/an/a



EPIZYME, INC.

US Patent


Assay 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....


US Patent US10179773 (2019)

More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase SMYD3


(Homo sapiens (Human))
BDBM321290
PNG
(N-(1-(2-chloroacetyl)piperidin-4-yl)-5- cyclopropy...)
Show SMILES ClCC(=O)N1CCC(CC1)NC(=O)c1cc(on1)C1CC1
Show InChI InChI=1S/C14H18ClN3O3/c15-8-13(19)18-5-3-10(4-6-18)16-14(20)11-7-12(21-17-11)9-1-2-9/h7,9-10H,1-6,8H2,(H,16,20)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 3.35E+4n/an/an/an/an/an/a



EPIZYME, INC.

US Patent


Assay 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....


US Patent US10179773 (2019)

More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase SMYD3


(Homo sapiens (Human))
BDBM321296
PNG
(5-cyclopropyl-N-(1- (vinylsulfonyl)pyrrolidin-3-yl...)
Show SMILES C=CS(=O)(=O)N1CCC(C1)NC(=O)c1cc(on1)C1CC1
Show InChI InChI=1S/C13H17N3O4S/c1-2-21(18,19)16-6-5-10(8-16)14-13(17)11-7-12(20-15-11)9-3-4-9/h2,7,9-10H,1,3-6,8H2,(H,14,17)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a>5.00E+4n/an/an/an/an/an/a



EPIZYME, INC.

US Patent


Assay 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....


US Patent US10179773 (2019)

More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase SMYD3


(Homo sapiens (Human))
BDBM321289
PNG
(N-((1r,4r)-4-acrylamidocyclohexyl)-5- cyclopropyli...)
Show SMILES C=CC(=O)N[C@H]1CC[C@@H](CC1)NC(=O)c1cc(on1)C1CC1
Show InChI InChI=1S/C16H21N3O3/c1-2-15(20)17-11-5-7-12(8-6-11)18-16(21)13-9-14(22-19-13)10-3-4-10/h2,9-12H,1,3-8H2,(H,17,20)(H,18,21)/t11-,12-
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 7.41E+4n/an/an/an/an/an/a



EPIZYME, INC.

US Patent


Assay 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....


US Patent US10179773 (2019)

More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase SMYD3


(Homo sapiens (Human))
BDBM321291
PNG
(N-(1-acryloylpiperidin-4-yl)-5- cyclopropylisoxazo...)
Show SMILES C=CC(=O)N1CCC(CC1)NC(=O)c1cc(on1)C1CC1
Show InChI InChI=1S/C15H19N3O3/c1-2-14(19)18-7-5-11(6-8-18)16-15(20)12-9-13(21-17-12)10-3-4-10/h2,9-11H,1,3-8H2,(H,16,20)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a>1.00E+5n/an/an/an/an/an/a



EPIZYME, INC.

US Patent


Assay 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....


US Patent US10179773 (2019)

More data for this
Ligand-Target Pair
* indicates data uncertainty>20%