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Patent code US10266526

Compile Data Set for Download or QSAR

Found 956 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))
BDBM378442
PNG
(N-((1R,3R,5S)-8-(((1r,4R)-4-aminocyclohexyl)sulfon...)
Show SMILES N[C@H]1CC[C@@H](CC1)S(=O)(=O)N1[C@H]2CC[C@@H]1C[C@@H](C2)NC(=O)c1ccc2NC(=O)Cc2c1
Show InChI InChI=1/C22H30N4O4S/c23-15-2-6-19(7-3-15)31(29,30)26-17-4-5-18(26)12-16(11-17)24-22(28)13-1-8-20-14(9-13)10-21(27)25-20/h1,8-9,15-19H,2-7,10-12,23H2,(H,24,28)(H,25,27)/t15-,16-,17+,18-,19-
PDB

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PC sid
UniChem
US Patent
n/an/a 0.440n/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 US10266526 (2019)

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


(Homo sapiens (Human))
BDBM378443
PNG
(N-((1R,3r,5S)-8-((4-aminopiperidin-1-yl)sulfonyl)-...)
Show SMILES NC1CCN(CC1)S(=O)(=O)N1[C@H]2CC[C@@H]1C[C@@H](C2)NC(=O)c1cc2CC(=O)Nc2cc1F
Show InChI InChI=1/C21H28FN5O4S/c22-18-11-19-12(8-20(28)25-19)7-17(18)21(29)24-14-9-15-1-2-16(10-14)27(15)32(30,31)26-5-3-13(23)4-6-26/h7,11,13-16H,1-6,8-10,23H2,(H,24,29)(H,25,28)/t14-,15+,16-
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
US Patent
n/an/a 0.490n/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 US10266526 (2019)

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


(Homo sapiens (Human))
BDBM378444
PNG
(N-((1R,3r,5S)-8-(((1-methylpiperidin-4-yl)methyl)s...)
Show SMILES CN1CCC(CS(=O)(=O)N2[C@H]3CC[C@@H]2C[C@@H](C3)NC(=O)c2ccc3NC(=O)Cc3c2)CC1
Show InChI InChI=1/C23H32N4O4S/c1-26-8-6-15(7-9-26)14-32(30,31)27-19-3-4-20(27)13-18(12-19)24-23(29)16-2-5-21-17(10-16)11-22(28)25-21/h2,5,10,15,18-20H,3-4,6-9,11-14H2,1H3,(H,24,29)(H,25,28)/t18-,19+,20-
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
US Patent
n/an/a 0.670n/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 US10266526 (2019)

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


(Homo sapiens (Human))
BDBM378445
PNG
(N-((1R,3r,5S)-8-((4-aminopiperidin-1-yl)sulfonyl)-...)
Show SMILES NC1CCN(CC1)S(=O)(=O)N1[C@H]2CC[C@@H]1C[C@@H](C2)NC(=O)c1ccc2NC(=O)Cc2c1
Show InChI InChI=1/C21H29N5O4S/c22-15-5-7-25(8-6-15)31(29,30)26-17-2-3-18(26)12-16(11-17)23-21(28)13-1-4-19-14(9-13)10-20(27)24-19/h1,4,9,15-18H,2-3,5-8,10-12,22H2,(H,23,28)(H,24,27)/t16-,17+,18-
PDB

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PC sid
UniChem
US Patent
n/an/a 0.680n/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 US10266526 (2019)

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


(Homo sapiens (Human))
BDBM378446
PNG
(N-((1R,3r,5S)-8-((4-aminopiperidin-1-yl)sulfonyl)-...)
Show SMILES NC1CCN(CC1)S(=O)(=O)N1[C@H]2CC[C@@H]1C[C@@H](C2)NC(=O)c1cc2CC(=O)Nc2cc1Cl
Show InChI InChI=1/C21H28ClN5O4S/c22-18-11-19-12(8-20(28)25-19)7-17(18)21(29)24-14-9-15-1-2-16(10-14)27(15)32(30,31)26-5-3-13(23)4-6-26/h7,11,13-16H,1-6,8-10,23H2,(H,24,29)(H,25,28)/t14-,15+,16-
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
US Patent
n/an/a 0.810n/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 US10266526 (2019)

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


(Homo sapiens (Human))
BDBM378447
PNG
(N-((2S,4S)-1-((4-aminopiperidin-1-yl)sulfonyl)-2-m...)
Show SMILES C[C@H]1C[C@H](CCN1S(=O)(=O)N1CCC(N)CC1)NC(=O)c1ccc2NC(=O)Cc2c1
Show InChI InChI=1/C20H29N5O4S/c1-13-10-17(6-9-25(13)30(28,29)24-7-4-16(21)5-8-24)22-20(27)14-2-3-18-15(11-14)12-19(26)23-18/h2-3,11,13,16-17H,4-10,12,21H2,1H3,(H,22,27)(H,23,26)/t13-,17-/s2
PDB

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PC cid
PC sid
UniChem
US Patent
n/an/a 0.900n/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 US10266526 (2019)

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


(Homo sapiens (Human))
BDBM378448
PNG
(N-((1R,3r,5S)-8-(((1-(3-hydroxypropyl)piperidin-4-...)
Show SMILES OCCCN1CCC(CS(=O)(=O)N2[C@H]3CC[C@@H]2C[C@@H](C3)NC(=O)c2ccc3NC(=O)Cc3c2)CC1
Show InChI InChI=1/C25H36N4O5S/c30-11-1-8-28-9-6-17(7-10-28)16-35(33,34)29-21-3-4-22(29)15-20(14-21)26-25(32)18-2-5-23-19(12-18)13-24(31)27-23/h2,5,12,17,20-22,30H,1,3-4,6-11,13-16H2,(H,26,32)(H,27,31)/t20-,21+,22-
PDB

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PC cid
PC sid
UniChem
US Patent
n/an/a 0.950n/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 US10266526 (2019)

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


(Homo sapiens (Human))
BDBM378449
PNG
(N-((2S,4S)-1-((4-aminopiperidin-1-yl)sulfonyl)-2-m...)
Show SMILES C[C@H]1C[C@H](CCN1S(=O)(=O)N1CCC(N)CC1)NC(=O)c1cc2CC(=O)Nc2cc1Cl
Show InChI InChI=1/C20H28ClN5O4S/c1-12-8-15(4-7-26(12)31(29,30)25-5-2-14(22)3-6-25)23-20(28)16-9-13-10-19(27)24-18(13)11-17(16)21/h9,11-12,14-15H,2-8,10,22H2,1H3,(H,23,28)(H,24,27)/t12-,15-/s2
PDB

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PC cid
PC sid
UniChem
US Patent
n/an/a 0.980n/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 US10266526 (2019)

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


(Homo sapiens (Human))
BDBM378450
PNG
(N-((1R,3R,5S)-8-(((1r,4R)-4-aminocyclohexyl)sulfon...)
Show SMILES N[C@H]1CC[C@@H](CC1)S(=O)(=O)N1[C@H]2CC[C@@H]1C[C@@H](C2)NC(=O)c1cc2CC(=O)Nc2cc1Cl
Show InChI InChI=1/C22H29ClN4O4S/c23-19-11-20-12(8-21(28)26-20)7-18(19)22(29)25-14-9-15-3-4-16(10-14)27(15)32(30,31)17-5-1-13(24)2-6-17/h7,11,13-17H,1-6,8-10,24H2,(H,25,29)(H,26,28)/t13-,14-,15+,16-,17-
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
US Patent
n/an/a 1.10n/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 US10266526 (2019)

More data for this
Ligand-Target Pair
N-lysine methyltransferase SMYD2


(Homo sapiens (Human))
BDBM378746
PNG
(N-(1-((1-(4-chlorobenzyl)-1H-pyrazol-4-yl)methyl)a...)
Show SMILES Clc1ccc(Cn2cc(CN3CC(C3)NC(=O)c3cc(cnn3)C3CC3)cn2)cc1
Show InChI InChI=1S/C22H23ClN6O/c23-19-5-1-15(2-6-19)11-29-12-16(8-25-29)10-28-13-20(14-28)26-22(30)21-7-18(9-24-27-21)17-3-4-17/h1-2,5-9,12,17,20H,3-4,10-11,13-14H2,(H,26,30)
PDB

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PC cid
PC sid
UniChem
US Patent
n/an/a 1.20n/an/an/an/an/an/a



EPIZYME, INC.

US Patent


Assay Description
The assays were all performed in a buffer consisting of 20 mM Bicine (pH=7.6), 1 mM TCEP, 0.005% Bovine Skin Gelatin, and 0.002% Tween20, prepared on...


US Patent US10266526 (2019)

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


(Homo sapiens (Human))
BDBM378451
PNG
(N-((2S)-1-((4-(2-aminopropan-2-yl)phenyl)sulfonyl)...)
Show SMILES C[C@H]1CC(CCN1S(=O)(=O)c1ccc(cc1)C(C)(C)N)NC(=O)c1ccc2NC(=O)Cc2c1
Show InChI InChI=1/C24H30N4O4S/c1-15-12-19(26-23(30)16-4-9-21-17(13-16)14-22(29)27-21)10-11-28(15)33(31,32)20-7-5-18(6-8-20)24(2,3)25/h4-9,13,15,19H,10-12,14,25H2,1-3H3,(H,26,30)(H,27,29)/t15-,19?/s2
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
US Patent
n/an/a 1.47n/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 US10266526 (2019)

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


(Homo sapiens (Human))
BDBM378452
PNG
(6-chloro-N-((1R,3r,5S)-8-(((1-(3-hydroxypropyl)pip...)
Show SMILES OCCCN1CCC(CS(=O)(=O)N2[C@H]3CC[C@@H]2C[C@@H](C3)NC(=O)c2cc3CC(=O)Nc3cc2Cl)CC1
Show InChI InChI=1/C25H35ClN4O5S/c26-22-14-23-17(11-24(32)28-23)10-21(22)25(33)27-18-12-19-2-3-20(13-18)30(19)36(34,35)15-16-4-7-29(8-5-16)6-1-9-31/h10,14,16,18-20,31H,1-9,11-13,15H2,(H,27,33)(H,28,32)/t18-,19+,20-
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
US Patent
n/an/a 1.73n/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 US10266526 (2019)

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


(Homo sapiens (Human))
BDBM378453
PNG
(6-chloro-N-((1R,3r,5S)-8-((4-(methylamino)piperidi...)
Show SMILES CNC1CCN(CC1)S(=O)(=O)N1[C@H]2CC[C@@H]1C[C@@H](C2)NC(=O)c1cc2CC(=O)Nc2cc1Cl
Show InChI InChI=1/C22H30ClN5O4S/c1-24-14-4-6-27(7-5-14)33(31,32)28-16-2-3-17(28)11-15(10-16)25-22(30)18-8-13-9-21(29)26-20(13)12-19(18)23/h8,12,14-17,24H,2-7,9-11H2,1H3,(H,25,30)(H,26,29)/t15-,16+,17-
PDB

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PC cid
PC sid
UniChem
US Patent
n/an/a 1.89n/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 US10266526 (2019)

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


(Homo sapiens (Human))
BDBM378454
PNG
(N-((1R,3r,5S)-8-((4-(benzylamino)piperidin-1-yl)su...)
Show SMILES O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2S(=O)(=O)N1CCC(CC1)NCc1ccccc1)c1ccc2NC(=O)Cc2c1
Show InChI InChI=1/C28H35N5O4S/c34-27-15-21-14-20(6-9-26(21)31-27)28(35)30-23-16-24-7-8-25(17-23)33(24)38(36,37)32-12-10-22(11-13-32)29-18-19-4-2-1-3-5-19/h1-6,9,14,22-25,29H,7-8,10-13,15-18H2,(H,30,35)(H,31,34)/t23-,24+,25-
PDB

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PC cid
PC sid
UniChem
US Patent
n/an/a 1.98n/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 US10266526 (2019)

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


(Homo sapiens (Human))
BDBM378455
PNG
(N-((2S,4S)-1-((4-(2-aminopropan-2-yl)phenyl)sulfon...)
Show SMILES C[C@H]1C[C@H](CCN1S(=O)(=O)c1ccc(cc1)C(C)(C)N)NC(=O)c1cc2CC(=O)Nc2cc1Cl
Show InChI InChI=1/C24H29ClN4O4S/c1-14-10-17(27-23(31)19-11-15-12-22(30)28-21(15)13-20(19)25)8-9-29(14)34(32,33)18-6-4-16(5-7-18)24(2,3)26/h4-7,11,13-14,17H,8-10,12,26H2,1-3H3,(H,27,31)(H,28,30)/t14-,17-/s2
PDB

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PC cid
PC sid
UniChem
US Patent
n/an/a 1.98n/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 US10266526 (2019)

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


(Homo sapiens (Human))
BDBM378456
PNG
(N-((1R,3r,5S)-8-((4-(methylamino)piperidin-1-yl)su...)
Show SMILES CNC1CCN(CC1)S(=O)(=O)N1[C@H]2CC[C@@H]1C[C@@H](C2)NC(=O)c1ccc2NC(=O)Cc2c1
Show InChI InChI=1/C22H31N5O4S/c1-23-16-6-8-26(9-7-16)32(30,31)27-18-3-4-19(27)13-17(12-18)24-22(29)14-2-5-20-15(10-14)11-21(28)25-20/h2,5,10,16-19,23H,3-4,6-9,11-13H2,1H3,(H,24,29)(H,25,28)/t17-,18+,19-
PDB

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PC cid
PC sid
UniChem
US Patent
n/an/a 2.13n/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 US10266526 (2019)

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


(Homo sapiens (Human))
BDBM378457
PNG
(2-oxo-N-((1R,3r,5S)-8-((piperidin-3-ylmethyl)sulfo...)
Show SMILES O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2S(=O)(=O)CC1CCCNC1)c1ccc2NC(=O)Cc2c1
Show InChI InChI=1/C22H30N4O4S/c27-21-9-16-8-15(3-6-20(16)25-21)22(28)24-17-10-18-4-5-19(11-17)26(18)31(29,30)13-14-2-1-7-23-12-14/h3,6,8,14,17-19,23H,1-2,4-5,7,9-13H2,(H,24,28)(H,25,27)/t14?,17-,18+,19-
PDB

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PC cid
PC sid
UniChem
US Patent
n/an/a 2.14n/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 US10266526 (2019)

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


(Homo sapiens (Human))
BDBM378458
PNG
(N-((1R,3R,5S)-8-(((1s,4S)-4-aminocyclohexyl)sulfon...)
Show SMILES N[C@H]1CC[C@H](CC1)S(=O)(=O)N1[C@H]2CC[C@@H]1C[C@@H](C2)NC(=O)c1ccc2NC(=O)Cc2c1
Show InChI InChI=1/C22H30N4O4S/c23-15-2-6-19(7-3-15)31(29,30)26-17-4-5-18(26)12-16(11-17)24-22(28)13-1-8-20-14(9-13)10-21(27)25-20/h1,8-9,15-19H,2-7,10-12,23H2,(H,24,28)(H,25,27)/t15-,16-,17+,18-,19+
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
US Patent
n/an/a 2.33n/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 US10266526 (2019)

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


(Homo sapiens (Human))
BDBM378459
PNG
(N-((1R,3r,5S)-8-((4-(benzylamino)piperidin-1-yl)su...)
Show SMILES Clc1cc2NC(=O)Cc2cc1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2S(=O)(=O)N1CCC(CC1)NCc1ccccc1
Show InChI InChI=1/C28H34ClN5O4S/c29-25-16-26-19(13-27(35)32-26)12-24(25)28(36)31-21-14-22-6-7-23(15-21)34(22)39(37,38)33-10-8-20(9-11-33)30-17-18-4-2-1-3-5-18/h1-5,12,16,20-23,30H,6-11,13-15,17H2,(H,31,36)(H,32,35)/t21-,22+,23-
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n/an/a 2.58n/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 US10266526 (2019)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Histone-lysine N-methyltransferase SMYD3


(Homo sapiens (Human))
BDBM378460
PNG
(N-((1R,3r,5S)-8-((4-(dimethylamino)piperidin-1-yl)...)
Show SMILES CN(C)C1CCN(CC1)S(=O)(=O)N1[C@H]2CC[C@@H]1C[C@@H](C2)NC(=O)c1ccc2NC(=O)Cc2c1
Show InChI InChI=1/C23H33N5O4S/c1-26(2)18-7-9-27(10-8-18)33(31,32)28-19-4-5-20(28)14-17(13-19)24-23(30)15-3-6-21-16(11-15)12-22(29)25-21/h3,6,11,17-20H,4-5,7-10,12-14H2,1-2H3,(H,24,30)(H,25,29)/t17-,19+,20-
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n/an/a 2.89n/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 US10266526 (2019)

More data for this
Ligand-Target Pair
N-lysine methyltransferase SMYD2


(Homo sapiens (Human))
BDBM378747
PNG
(N-(1-((1-(4-chlorobenzyl)-1H-pyrazol-4-yl)methyl)a...)
Show SMILES Clc1ccc(Cn2cc(CN3CC(C3)NC(=O)c3cc(ccn3)C3CC3)cn2)cc1
Show InChI InChI=1S/C23H24ClN5O/c24-20-5-1-16(2-6-20)12-29-13-17(10-26-29)11-28-14-21(15-28)27-23(30)22-9-19(7-8-25-22)18-3-4-18/h1-2,5-10,13,18,21H,3-4,11-12,14-15H2,(H,27,30)
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n/an/a 3.30n/an/an/an/an/an/a



EPIZYME, INC.

US Patent


Assay Description
The assays were all performed in a buffer consisting of 20 mM Bicine (pH=7.6), 1 mM TCEP, 0.005% Bovine Skin Gelatin, and 0.002% Tween20, prepared on...


US Patent US10266526 (2019)

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


(Homo sapiens (Human))
BDBM378461
PNG
(6-chloro-N-((1R,3r,5S)-8-((4-(dimethylamino)piperi...)
Show SMILES CN(C)C1CCN(CC1)S(=O)(=O)N1[C@H]2CC[C@@H]1C[C@@H](C2)NC(=O)c1cc2CC(=O)Nc2cc1Cl
Show InChI InChI=1/C23H32ClN5O4S/c1-27(2)16-5-7-28(8-6-16)34(32,33)29-17-3-4-18(29)12-15(11-17)25-23(31)19-9-14-10-22(30)26-21(14)13-20(19)24/h9,13,15-18H,3-8,10-12H2,1-2H3,(H,25,31)(H,26,30)/t15-,17+,18-
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n/an/a 3.46n/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 US10266526 (2019)

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


(Homo sapiens (Human))
BDBM378462
PNG
(6-chloro-2-oxo-N-((1R,3r,5S)-8-(((1-(4,4,4-trifluo...)
Show SMILES FC(F)(F)CCCN1CCC(CS(=O)(=O)N2[C@H]3CC[C@@H]2C[C@@H](C3)NC(=O)c2cc3CC(=O)Nc3cc2Cl)CC1
Show InChI InChI=1/C26H34ClF3N4O4S/c27-22-14-23-17(11-24(35)32-23)10-21(22)25(36)31-18-12-19-2-3-20(13-18)34(19)39(37,38)15-16-4-8-33(9-5-16)7-1-6-26(28,29)30/h10,14,16,18-20H,1-9,11-13,15H2,(H,31,36)(H,32,35)/t18-,19+,20-
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n/an/a 3.54n/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 US10266526 (2019)

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


(Homo sapiens (Human))
BDBM378463
PNG
(6-chloro-2-oxo-N-((1R,3r,5S)-8-((piperidin-4-ylmet...)
Show SMILES Clc1cc2NC(=O)Cc2cc1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2S(=O)(=O)CC1CCNCC1
Show InChI InChI=1/C22H29ClN4O4S/c23-19-11-20-14(8-21(28)26-20)7-18(19)22(29)25-15-9-16-1-2-17(10-15)27(16)32(30,31)12-13-3-5-24-6-4-13/h7,11,13,15-17,24H,1-6,8-10,12H2,(H,25,29)(H,26,28)/t15-,16+,17-
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n/an/a 3.60n/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 US10266526 (2019)

More data for this
Ligand-Target Pair
N-lysine methyltransferase SMYD2


(Homo sapiens (Human))
BDBM378802
PNG
(N-(1-((1-(4-chlorobenzyl)-1H-pyrazol-4-yl)methyl)a...)
Show SMILES Clc1ccc(Cn2cc(CN3CC(C3)NC(=O)c3cn(nn3)C3CC3)cn2)cc1
Show InChI InChI=1S/C20H22ClN7O/c21-16-3-1-14(2-4-16)9-27-10-15(7-22-27)8-26-11-17(12-26)23-20(29)19-13-28(25-24-19)18-5-6-18/h1-4,7,10,13,17-18H,5-6,8-9,11-12H2,(H,23,29)
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n/an/a 3.90n/an/an/an/an/an/a



EPIZYME, INC.

US Patent


Assay Description
The assays were all performed in a buffer consisting of 20 mM Bicine (pH=7.6), 1 mM TCEP, 0.005% Bovine Skin Gelatin, and 0.002% Tween20, prepared on...


US Patent US10266526 (2019)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Histone-lysine N-methyltransferase SMYD3


(Homo sapiens (Human))
BDBM378464
PNG
(2-oxo-N-((1R,3r,5S)-8-((piperidin-4-ylmethyl)sulfo...)
Show SMILES O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2S(=O)(=O)CC1CCNCC1)c1ccc2NC(=O)Cc2c1
Show InChI InChI=1/C22H30N4O4S/c27-21-10-16-9-15(1-4-20(16)25-21)22(28)24-17-11-18-2-3-19(12-17)26(18)31(29,30)13-14-5-7-23-8-6-14/h1,4,9,14,17-19,23H,2-3,5-8,10-13H2,(H,24,28)(H,25,27)/t17-,18+,19-
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n/an/a 3.98n/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 US10266526 (2019)

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


(Homo sapiens (Human))
BDBM378465
PNG
(6-chloro-2-oxo-N-((1R,3S,5S)-8-((((S)-piperidin-3-...)
Show SMILES Clc1cc2NC(=O)Cc2cc1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2S(=O)(=O)CC1CCCNC1
Show InChI InChI=1/C22H29ClN4O4S/c23-19-10-20-14(7-21(28)26-20)6-18(19)22(29)25-15-8-16-3-4-17(9-15)27(16)32(30,31)12-13-2-1-5-24-11-13/h6,10,13,15-17,24H,1-5,7-9,11-12H2,(H,25,29)(H,26,28)/t13?,15-,16+,17-
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n/an/a 4.12n/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 US10266526 (2019)

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


(Homo sapiens (Human))
BDBM378466
PNG
(N-((2S,4S)-2-methyl-1-((piperidin-4-ylmethyl)sulfo...)
Show SMILES C[C@H]1C[C@H](CCN1S(=O)(=O)CC1CCNCC1)NC(=O)c1ccc2NC(=O)Cc2c1
Show InChI InChI=1/C21H30N4O4S/c1-14-10-18(6-9-25(14)30(28,29)13-15-4-7-22-8-5-15)23-21(27)16-2-3-19-17(11-16)12-20(26)24-19/h2-3,11,14-15,18,22H,4-10,12-13H2,1H3,(H,23,27)(H,24,26)/t14-,18-/s2
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n/an/a 4.42n/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 US10266526 (2019)

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


(Homo sapiens (Human))
BDBM378465
PNG
(6-chloro-2-oxo-N-((1R,3S,5S)-8-((((S)-piperidin-3-...)
Show SMILES Clc1cc2NC(=O)Cc2cc1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2S(=O)(=O)CC1CCCNC1
Show InChI InChI=1/C22H29ClN4O4S/c23-19-10-20-14(7-21(28)26-20)6-18(19)22(29)25-15-8-16-3-4-17(9-15)27(16)32(30,31)12-13-2-1-5-24-11-13/h6,10,13,15-17,24H,1-5,7-9,11-12H2,(H,25,29)(H,26,28)/t13?,15-,16+,17-
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n/an/a 4.99n/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 US10266526 (2019)

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


(Homo sapiens (Human))
BDBM378468
PNG
(2-oxo-N-((1R,3r,5S)-8-((piperidin-4-ylmethyl)sulfo...)
Show SMILES O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2S(=O)(=O)CC1CCNCC1)c1ccc2[nH]c(=O)oc2c1
Show InChI InChI=1/C21H28N4O5S/c26-20(14-1-4-18-19(9-14)30-21(27)24-18)23-15-10-16-2-3-17(11-15)25(16)31(28,29)12-13-5-7-22-8-6-13/h1,4,9,13,15-17,22H,2-3,5-8,10-12H2,(H,23,26)(H,24,27)/t15-,16+,17-
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n/an/a 5.21n/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 US10266526 (2019)

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


(Homo sapiens (Human))
BDBM378469
PNG
(N-((1R,3r,5S)-8-((4-aminopiperidin-1-yl)sulfonyl)-...)
Show SMILES NC1CCN(CC1)S(=O)(=O)N1[C@H]2CC[C@@H]1C[C@@H](C2)NC(=O)c1cc2CC(=O)Nc2cc1Br
Show InChI InChI=1/C21H28BrN5O4S/c22-18-11-19-12(8-20(28)25-19)7-17(18)21(29)24-14-9-15-1-2-16(10-14)27(15)32(30,31)26-5-3-13(23)4-6-26/h7,11,13-16H,1-6,8-10,23H2,(H,24,29)(H,25,28)/t14-,15+,16-
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n/an/a 7.12n/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 US10266526 (2019)

More data for this
Ligand-Target Pair
N-lysine methyltransferase SMYD2


(Homo sapiens (Human))
BDBM378750
PNG
(N-(1-((1-benzyl-1H-pyrazol-4-yl)methyl)azetidin-3-...)
Show SMILES O=C(NC1CN(Cc2cnn(Cc3ccccc3)c2)C1)c1cc(cnn1)C1CC1
Show InChI InChI=1S/C22H24N6O/c29-22(21-8-19(10-23-26-21)18-6-7-18)25-20-14-27(15-20)11-17-9-24-28(13-17)12-16-4-2-1-3-5-16/h1-5,8-10,13,18,20H,6-7,11-12,14-15H2,(H,25,29)
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n/an/a 7.80n/an/an/an/an/an/a



EPIZYME, INC.

US Patent


Assay Description
The assays were all performed in a buffer consisting of 20 mM Bicine (pH=7.6), 1 mM TCEP, 0.005% Bovine Skin Gelatin, and 0.002% Tween20, prepared on...


US Patent US10266526 (2019)

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


(Homo sapiens (Human))
BDBM378470
PNG
(N-((3S)-1-((4-aminopiperidin-1-yl)sulfonyl)-3-meth...)
Show SMILES C[C@H]1CN(CCC1NC(=O)c1cc2CC(=O)Nc2cc1Cl)S(=O)(=O)N1CCC(N)CC1
Show InChI InChI=1/C20H28ClN5O4S/c1-12-11-26(31(29,30)25-5-2-14(22)3-6-25)7-4-17(12)24-20(28)15-8-13-9-19(27)23-18(13)10-16(15)21/h8,10,12,14,17H,2-7,9,11,22H2,1H3,(H,23,27)(H,24,28)/t12-,17?/s2
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n/an/a 8.53n/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 US10266526 (2019)

More data for this
Ligand-Target Pair
N-lysine methyltransferase SMYD2


(Homo sapiens (Human))
BDBM378744
PNG
(N-(1-((1-(4-chlorobenzyl)-1H-pyrazol-4-yl)methyl)a...)
Show SMILES Clc1ccc(Cn2cc(CN3CC(C3)NC(=O)c3nc(c[nH]3)C3CC3)cn2)cc1
Show InChI InChI=1S/C21H23ClN6O/c22-17-5-1-14(2-6-17)10-28-11-15(7-24-28)9-27-12-18(13-27)25-21(29)20-23-8-19(26-20)16-3-4-16/h1-2,5-8,11,16,18H,3-4,9-10,12-13H2,(H,23,26)(H,25,29)
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n/an/a 11n/an/an/an/an/an/a



EPIZYME, INC.

US Patent


Assay Description
The assays were all performed in a buffer consisting of 20 mM Bicine (pH=7.6), 1 mM TCEP, 0.005% Bovine Skin Gelatin, and 0.002% Tween20, prepared on...


US Patent US10266526 (2019)

More data for this
Ligand-Target Pair
N-lysine methyltransferase SMYD2


(Homo sapiens (Human))
BDBM378783
PNG
(N-(1-((1-benzyl-1H-pyrazol-4-yl)methyl)azetidin-3-...)
Show SMILES O=C(NC1CN(Cc2cnn(Cc3ccccc3)c2)C1)c1cc(ccn1)C1CC1
Show InChI InChI=1S/C23H25N5O/c29-23(22-10-20(8-9-24-22)19-6-7-19)26-21-15-27(16-21)12-18-11-25-28(14-18)13-17-4-2-1-3-5-17/h1-5,8-11,14,19,21H,6-7,12-13,15-16H2,(H,26,29)
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n/an/a 13n/an/an/an/an/an/a



EPIZYME, INC.

US Patent


Assay Description
The assays were all performed in a buffer consisting of 20 mM Bicine (pH=7.6), 1 mM TCEP, 0.005% Bovine Skin Gelatin, and 0.002% Tween20, prepared on...


US Patent US10266526 (2019)

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


(Homo sapiens (Human))
BDBM378471
PNG
(N-((1R,3r,5S)-8-((4-aminopiperidin-1-yl)sulfonyl)-...)
Show SMILES CN1C(=O)Cc2cc(C(=O)N[C@@H]3C[C@@H]4CC[C@H](C3)N4S(=O)(=O)N3CCC(N)CC3)c(Cl)cc12
Show InChI InChI=1/C22H30ClN5O4S/c1-26-20-12-19(23)18(8-13(20)9-21(26)29)22(30)25-15-10-16-2-3-17(11-15)28(16)33(31,32)27-6-4-14(24)5-7-27/h8,12,14-17H,2-7,9-11,24H2,1H3,(H,25,30)/t15-,16+,17-
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n/an/a 13.5n/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 US10266526 (2019)

More data for this
Ligand-Target Pair
N-lysine methyltransferase SMYD2


(Homo sapiens (Human))
BDBM378760
PNG
(1-cyclopropyl-N-(1-((1-(4-(trifluoromethyl)benzyl)...)
Show SMILES FC(F)(F)c1ccc(Cn2cc(CN3CC(C3)NC(=O)c3cn(nn3)C3CC3)cn2)cc1
Show InChI InChI=1S/C21H22F3N7O/c22-21(23,24)16-3-1-14(2-4-16)9-30-10-15(7-25-30)8-29-11-17(12-29)26-20(32)19-13-31(28-27-19)18-5-6-18/h1-4,7,10,13,17-18H,5-6,8-9,11-12H2,(H,26,32)
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n/an/a 14n/an/an/an/an/an/a



EPIZYME, INC.

US Patent


Assay Description
The assays were all performed in a buffer consisting of 20 mM Bicine (pH=7.6), 1 mM TCEP, 0.005% Bovine Skin Gelatin, and 0.002% Tween20, prepared on...


US Patent US10266526 (2019)

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


(Homo sapiens (Human))
BDBM378472
PNG
(N-((2S,4S)-1-((4-aminopiperidin-1-yl)sulfonyl)-2-m...)
Show SMILES CCc1cc(ns1)C(=O)N[C@H]1CCN([C@@H](C)C1)S(=O)(=O)N1CCC(N)CC1
Show InChI InChI=1/C17H29N5O3S2/c1-3-15-11-16(20-26-15)17(23)19-14-6-9-22(12(2)10-14)27(24,25)21-7-4-13(18)5-8-21/h11-14H,3-10,18H2,1-2H3,(H,19,23)/t12-,14-/s2
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UniChem
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n/an/a 15.4n/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 US10266526 (2019)

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


(Homo sapiens (Human))
BDBM378473
PNG
(N-((1R,3r,5S)-8-((4-aminopiperidin-1-yl)sulfonyl)-...)
Show SMILES Cc1cc2NC(=O)Cc2cc1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2S(=O)(=O)N1CCC(N)CC1
Show InChI InChI=1/C22H31N5O4S/c1-13-8-20-14(10-21(28)25-20)9-19(13)22(29)24-16-11-17-2-3-18(12-16)27(17)32(30,31)26-6-4-15(23)5-7-26/h8-9,15-18H,2-7,10-12,23H2,1H3,(H,24,29)(H,25,28)/t16-,17+,18-
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n/an/a 15.6n/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 US10266526 (2019)

More data for this
Ligand-Target Pair
N-lysine methyltransferase SMYD2


(Homo sapiens (Human))
BDBM378810
PNG
(1-cyclopropyl-N-(1-((1-(4-methylbenzyl)-1H-pyrazol...)
Show SMILES Cc1ccc(Cn2cc(CN3CC(C3)NC(=O)c3cn(nn3)C3CC3)cn2)cc1
Show InChI InChI=1S/C21H25N7O/c1-15-2-4-16(5-3-15)10-27-11-17(8-22-27)9-26-12-18(13-26)23-21(29)20-14-28(25-24-20)19-6-7-19/h2-5,8,11,14,18-19H,6-7,9-10,12-13H2,1H3,(H,23,29)
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n/an/a 16n/an/an/an/an/an/a



EPIZYME, INC.

US Patent


Assay Description
The assays were all performed in a buffer consisting of 20 mM Bicine (pH=7.6), 1 mM TCEP, 0.005% Bovine Skin Gelatin, and 0.002% Tween20, prepared on...


US Patent US10266526 (2019)

More data for this
Ligand-Target Pair
N-lysine methyltransferase SMYD2


(Homo sapiens (Human))
BDBM378654
PNG
(N-{1-[(1-benzyl-1H-pyrazol-4-yl)methyl]azetidin-3-...)
Show SMILES O=C(NC1CN(Cc2cnn(Cc3ccccc3)c2)C1)c1cn(nn1)C1CC1
Show InChI InChI=1S/C20H23N7O/c28-20(19-14-27(24-23-19)18-6-7-18)22-17-12-25(13-17)9-16-8-21-26(11-16)10-15-4-2-1-3-5-15/h1-5,8,11,14,17-18H,6-7,9-10,12-13H2,(H,22,28)
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n/an/a 16.4n/an/an/an/an/an/a



EPIZYME, INC.

US Patent


Assay Description
The assays were all performed in a buffer consisting of 20 mM Bicine (pH=7.6), 1 mM TCEP, 0.005% Bovine Skin Gelatin, and 0.002% Tween20, prepared on...


US Patent US10266526 (2019)

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


(Homo sapiens (Human))
BDBM378474
PNG
(N-((2S,4S)-1-((4-aminopiperidin-1-yl)sulfonyl)-2-m...)
Show SMILES C[C@H]1C[C@H](CCN1S(=O)(=O)N1CCC(N)CC1)NC(=O)c1nnc(s1)C1CC1
Show InChI InChI=1/C17H28N6O3S2/c1-11-10-14(19-15(24)17-21-20-16(27-17)12-2-3-12)6-9-23(11)28(25,26)22-7-4-13(18)5-8-22/h11-14H,2-10,18H2,1H3,(H,19,24)/t11-,14-/s2
PDB

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n/an/a 18.1n/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 US10266526 (2019)

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


(Homo sapiens (Human))
BDBM378511
PNG
(N-((1R,3r,5S)-8-((4-aminopiperidin-1-yl)sulfonyl)-...)
Show SMILES NC1CCN(CC1)S(=O)(=O)N1[C@H]2CC[C@@H]1C[C@@H](C2)NC(=O)c1cc(no1)C1CC1
Show InChI InChI=1/C19H29N5O4S/c20-13-5-7-23(8-6-13)29(26,27)24-15-3-4-16(24)10-14(9-15)21-19(25)18-11-17(22-28-18)12-1-2-12/h11-16H,1-10,20H2,(H,21,25)/t14-,15+,16-
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n/an/a 18.5n/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 US10266526 (2019)

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


(Homo sapiens (Human))
BDBM378475
PNG
(N-((3R,4R)-1-((4-aminopiperidin-1-yl)sulfonyl)-3-m...)
Show SMILES C[C@@H]1CN(CC[C@H]1NC(=O)c1cc2CC(=O)Nc2cc1Cl)S(=O)(=O)N1CCC(N)CC1
Show InChI InChI=1/C20H28ClN5O4S/c1-12-11-26(31(29,30)25-5-2-14(22)3-6-25)7-4-17(12)24-20(28)15-8-13-9-19(27)23-18(13)10-16(15)21/h8,10,12,14,17H,2-7,9,11,22H2,1H3,(H,23,27)(H,24,28)/t12-,17-/s2
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n/an/a 21.4n/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 US10266526 (2019)

More data for this
Ligand-Target Pair
N-lysine methyltransferase SMYD2


(Homo sapiens (Human))
BDBM378768
PNG
(1-cyclopropyl-N-(1-((1-(4-fluorobenzyl)-1H-pyrazol...)
Show SMILES Fc1ccc(Cn2cc(CN3CC(C3)NC(=O)c3cn(nn3)C3CC3)cn2)cc1
Show InChI InChI=1S/C20H22FN7O/c21-16-3-1-14(2-4-16)9-27-10-15(7-22-27)8-26-11-17(12-26)23-20(29)19-13-28(25-24-19)18-5-6-18/h1-4,7,10,13,17-18H,5-6,8-9,11-12H2,(H,23,29)
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n/an/a 22n/an/an/an/an/an/a



EPIZYME, INC.

US Patent


Assay Description
The assays were all performed in a buffer consisting of 20 mM Bicine (pH=7.6), 1 mM TCEP, 0.005% Bovine Skin Gelatin, and 0.002% Tween20, prepared on...


US Patent US10266526 (2019)

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


(Homo sapiens (Human))
BDBM378476
PNG
(N-((1R,3r,5S)-8-((4-aminopiperidin-1-yl)sulfonyl)-...)
Show SMILES NC1CCN(CC1)S(=O)(=O)N1[C@H]2CC[C@@H]1C[C@@H](C2)NC(=O)c1ccc2OCC(=O)Nc2c1
Show InChI InChI=1/C21H29N5O5S/c22-14-5-7-25(8-6-14)32(29,30)26-16-2-3-17(26)11-15(10-16)23-21(28)13-1-4-19-18(9-13)24-20(27)12-31-19/h1,4,9,14-17H,2-3,5-8,10-12,22H2,(H,23,28)(H,24,27)/t15-,16+,17-
PDB

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n/an/a 23.7n/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 US10266526 (2019)

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


(Homo sapiens (Human))
BDBM378477
PNG
(N-((1R,3r,5S)-8-((4-aminopiperidin-1-yl)sulfonyl)-...)
Show SMILES CCc1cc(ns1)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2S(=O)(=O)N1CCC(N)CC1
Show InChI InChI=1/C18H29N5O3S2/c1-2-16-11-17(21-27-16)18(24)20-13-9-14-3-4-15(10-13)23(14)28(25,26)22-7-5-12(19)6-8-22/h11-15H,2-10,19H2,1H3,(H,20,24)/t13-,14+,15-
PDB

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n/an/a 23.8n/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 US10266526 (2019)

More data for this
Ligand-Target Pair
N-lysine methyltransferase SMYD2


(Homo sapiens (Human))
BDBM378804
PNG
(N-(1-((1-(3-chlorobenzyl)-1H-pyrazol-4-yl)methyl)a...)
Show SMILES Clc1cccc(Cn2cc(CN3CC(C3)NC(=O)c3cn(nn3)C3CC3)cn2)c1
Show InChI InChI=1S/C20H22ClN7O/c21-16-3-1-2-14(6-16)9-27-10-15(7-22-27)8-26-11-17(12-26)23-20(29)19-13-28(25-24-19)18-4-5-18/h1-3,6-7,10,13,17-18H,4-5,8-9,11-12H2,(H,23,29)
PDB

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n/an/a 24n/an/an/an/an/an/a



EPIZYME, INC.

US Patent


Assay Description
The assays were all performed in a buffer consisting of 20 mM Bicine (pH=7.6), 1 mM TCEP, 0.005% Bovine Skin Gelatin, and 0.002% Tween20, prepared on...


US Patent US10266526 (2019)

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


(Homo sapiens (Human))
BDBM378478
PNG
(1-methyl-2-oxo-N-((1R,3r,5S)-8-((piperidin-4-ylmet...)
Show SMILES CN1C(=O)Cc2cc(ccc12)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2S(=O)(=O)CC1CCNCC1
Show InChI InChI=1/C23H32N4O4S/c1-26-21-5-2-16(10-17(21)11-22(26)28)23(29)25-18-12-19-3-4-20(13-18)27(19)32(30,31)14-15-6-8-24-9-7-15/h2,5,10,15,18-20,24H,3-4,6-9,11-14H2,1H3,(H,25,29)/t18-,19+,20-
PDB

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n/an/a 25.9n/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 US10266526 (2019)

More data for this
Ligand-Target Pair
N-lysine methyltransferase SMYD2


(Homo sapiens (Human))
BDBM378698
PNG
(N-(1-{1-[4-(benzyloxy)phenyl]ethyl}azetidin-3-yl)-...)
Show SMILES CC(N1CC(C1)NC(=O)c1cc(cnn1)C1CC1)c1ccc(OCc2ccccc2)cc1
Show InChI InChI=1/C26H28N4O2/c1-18(20-9-11-24(12-10-20)32-17-19-5-3-2-4-6-19)30-15-23(16-30)28-26(31)25-13-22(14-27-29-25)21-7-8-21/h2-6,9-14,18,21,23H,7-8,15-17H2,1H3,(H,28,31)
PDB

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n/an/a 26.5n/an/an/an/an/an/a



EPIZYME, INC.

US Patent


Assay Description
The assays were all performed in a buffer consisting of 20 mM Bicine (pH=7.6), 1 mM TCEP, 0.005% Bovine Skin Gelatin, and 0.002% Tween20, prepared on...


US Patent US10266526 (2019)

More data for this
Ligand-Target Pair
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