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USPatent US10106510

Compile data set for download or QSAR
Found 60 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))		BDBM293375
PNG
(Mixture of N- ((1S,2R,4S)-4-((R)-3- aminobutanamid...)
Show SMILES C[C@@H](N)CC(=O)N[C@H]1CC[C@H](NC(=O)c2cc(on2)C2CC2)[C@H](Cc2ccccc2)C1 |r|
Show InChI InChI=1S/C24H32N4O3/c1-15(25)11-23(29)26-19-9-10-20(18(13-19)12-16-5-3-2-4-6-16)27-24(30)21-14-22(31-28-21)17-7-8-17/h2-6,14-15,17-20H,7-13,25H2,1H3,(H,26,29)(H,27,30)/t15-,18-,19+,20+/m1/s1
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n/an/a 28.6n/an/an/an/an/an/a



EPIZYME, INC.

US Patent


Assay Description
S-adenosylmethionine (SAM), S-adenosylhomocysteine (SAH), Tris, Tween20, dimethylsulfoxide (DMSO), bovine skin gelatin (BSG), and Tris(2-carboxyethyl...

US Patent US10106510 (2018)


BindingDB Entry DOI: 10.7270/Q22V2J5G
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase SMYD3


(Homo sapiens (Human))		BDBM293337
PNG
(Mixture of N- ((1S,2R,4S)-4-((R)- 3-aminobutanamid...)
Show SMILES CC[C@@H]1C[C@H](CC[C@@H]1NC(=O)c1cc(CC)on1)NC(=O)C[C@@H](C)N |r|
Show InChI InChI=1S/C18H30N4O3/c1-4-12-9-13(20-17(23)8-11(3)19)6-7-15(12)21-18(24)16-10-14(5-2)25-22-16/h10-13,15H,4-9,19H2,1-3H3,(H,20,23)(H,21,24)/t11-,12-,13+,15+/m1/s1
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n/an/a 97.3n/an/an/an/an/an/a



EPIZYME, INC.

US Patent


Assay Description
S-adenosylmethionine (SAM), S-adenosylhomocysteine (SAH), Tris, Tween20, dimethylsulfoxide (DMSO), bovine skin gelatin (BSG), and Tris(2-carboxyethyl...

US Patent US10106510 (2018)


BindingDB Entry DOI: 10.7270/Q22V2J5G
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase SMYD3


(Homo sapiens (Human))		BDBM293338
PNG
(Mixture of N- ((1S,2R,4S)-4-((S)- 3-aminobutanamid...)
Show SMILES CC[C@@H]1C[C@H](CC[C@@H]1NC(=O)c1cc(CC)on1)NC(=O)C[C@H](C)N |r|
Show InChI InChI=1S/C18H30N4O3/c1-4-12-9-13(20-17(23)8-11(3)19)6-7-15(12)21-18(24)16-10-14(5-2)25-22-16/h10-13,15H,4-9,19H2,1-3H3,(H,20,23)(H,21,24)/t11-,12+,13-,15-/m0/s1
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n/an/a 170n/an/an/an/an/an/a



EPIZYME, INC.

US Patent


Assay Description
S-adenosylmethionine (SAM), S-adenosylhomocysteine (SAH), Tris, Tween20, dimethylsulfoxide (DMSO), bovine skin gelatin (BSG), and Tris(2-carboxyethyl...

US Patent US10106510 (2018)


BindingDB Entry DOI: 10.7270/Q22V2J5G
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase SMYD3


(Homo sapiens (Human))		BDBM293342
PNG
(5-cyclopropyl-N-((1r,4r)- 4-(3-(pyrrolidin-1- yl)p...)
Show SMILES O=C(CCN1CCCC1)N[C@H]1CC[C@@H](CC1)NC(=O)c1cc(on1)C1CC1 |r,wU:10.10,wD:13.17,(4.16,-.77,;4.16,.77,;5.49,1.54,;6.82,.77,;8.16,1.54,;8.63,3,;10.17,3,;10.65,1.54,;9.4,.63,;2.82,1.54,;1.49,.77,;1.49,-.77,;.15,-1.54,;-1.18,-.77,;-1.18,.77,;.15,1.54,;-2.51,-1.54,;-3.85,-.77,;-3.85,.77,;-5.18,-1.54,;-6.43,-.63,;-7.67,-1.54,;-7.2,-3,;-5.66,-3,;-9.16,-1.14,;-10.25,-.05,;-10.65,-1.54,)|
Show InChI InChI=1S/C20H30N4O3/c25-19(9-12-24-10-1-2-11-24)21-15-5-7-16(8-6-15)22-20(26)17-13-18(27-23-17)14-3-4-14/h13-16H,1-12H2,(H,21,25)(H,22,26)/t15-,16-
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n/an/a 188n/an/an/an/an/an/a



EPIZYME, INC.

US Patent


Assay Description
S-adenosylmethionine (SAM), S-adenosylhomocysteine (SAH), Tris, Tween20, dimethylsulfoxide (DMSO), bovine skin gelatin (BSG), and Tris(2-carboxyethyl...

US Patent US10106510 (2018)


BindingDB Entry DOI: 10.7270/Q22V2J5G
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase SMYD3


(Homo sapiens (Human))		BDBM293357
PNG
(N-((1R,4r)-4-((1r,3R)-3- aminocyclobutane-1- carbo...)
Show SMILES N[C@H]1C[C@@H](C1)C(=O)N[C@H]1CC[C@@H](CC1)NC(=O)c1cc(on1)C1CC1 |r,wU:8.8,1.0,wD:11.15,3.5,(9.68,3.2,;8.34,2.43,;7.95,.94,;6.46,1.34,;6.86,2.83,;5.12,.57,;5.12,-.97,;3.79,1.34,;2.46,.57,;2.46,-.97,;1.12,-1.74,;-.21,-.97,;-.21,.57,;1.12,1.34,;-1.54,-1.74,;-2.88,-.97,;-2.88,.57,;-4.21,-1.74,;-5.46,-.83,;-6.7,-1.74,;-6.23,-3.2,;-4.69,-3.2,;-8.19,-1.34,;-9.28,-.25,;-9.68,-1.74,)|
Show InChI InChI=1S/C18H26N4O3/c19-12-7-11(8-12)17(23)20-13-3-5-14(6-4-13)21-18(24)15-9-16(25-22-15)10-1-2-10/h9-14H,1-8,19H2,(H,20,23)(H,21,24)/t11-,12-,13-,14-
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n/an/a 269n/an/an/an/an/an/a



EPIZYME, INC.

US Patent


Assay Description
S-adenosylmethionine (SAM), S-adenosylhomocysteine (SAH), Tris, Tween20, dimethylsulfoxide (DMSO), bovine skin gelatin (BSG), and Tris(2-carboxyethyl...

US Patent US10106510 (2018)


BindingDB Entry DOI: 10.7270/Q22V2J5G
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase SMYD3


(Homo sapiens (Human))		BDBM293359
PNG
(N-((1r,4r)-4-((3- aminopropyl)amino) cyclohexyl)-5...)
Show SMILES NCCCN[C@H]1CC[C@@H](CC1)NC(=O)c1cc(on1)C1CC1 |r,wU:5.4,wD:8.11,(9.4,2.27,;8.07,1.5,;6.73,2.27,;5.4,1.5,;4.07,2.27,;2.73,1.5,;2.73,-.04,;1.4,-.81,;.07,-.04,;.07,1.5,;1.4,2.27,;-1.27,-.81,;-2.6,-.04,;-2.6,1.5,;-3.93,-.81,;-5.18,.1,;-6.43,-.81,;-5.95,-2.27,;-4.41,-2.27,;-7.91,-.41,;-9,.68,;-9.4,-.81,)|
Show InChI InChI=1S/C16H26N4O2/c17-8-1-9-18-12-4-6-13(7-5-12)19-16(21)14-10-15(22-20-14)11-2-3-11/h10-13,18H,1-9,17H2,(H,19,21)/t12-,13-
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EPIZYME, INC.

US Patent


Assay Description
S-adenosylmethionine (SAM), S-adenosylhomocysteine (SAH), Tris, Tween20, dimethylsulfoxide (DMSO), bovine skin gelatin (BSG), and Tris(2-carboxyethyl...

US Patent US10106510 (2018)


BindingDB Entry DOI: 10.7270/Q22V2J5G
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase SMYD3


(Homo sapiens (Human))		BDBM293344
PNG
(N-((1R,4r)-4-((1s,4S)-4- aminocyclohexane-1- carbo...)
Show SMILES N[C@H]1CC[C@H](CC1)C(=O)N[C@H]1CC[C@@H](CC1)NC(=O)c1cc(on1)C1CC1 |r,wU:4.7,10.10,1.0,wD:13.17,(-10.07,-3.43,;-8.73,-2.66,;-8.73,-1.12,;-7.4,-.35,;-6.07,-1.12,;-6.07,-2.66,;-7.4,-3.43,;-4.73,-.35,;-4.73,1.19,;-3.4,-1.12,;-2.07,-.35,;-2.07,1.19,;-.73,1.96,;.6,1.19,;.6,-.35,;-.73,-1.12,;1.93,1.96,;3.27,1.19,;3.27,-.35,;4.6,1.96,;5.85,1.06,;7.09,1.96,;6.62,3.43,;5.08,3.43,;8.58,1.56,;9.67,.48,;10.07,1.96,)|
Show InChI InChI=1S/C20H30N4O3/c21-14-5-3-13(4-6-14)19(25)22-15-7-9-16(10-8-15)23-20(26)17-11-18(27-24-17)12-1-2-12/h11-16H,1-10,21H2,(H,22,25)(H,23,26)/t13-,14+,15-,16-
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n/an/a 352n/an/an/an/an/an/a



EPIZYME, INC.

US Patent


Assay Description
S-adenosylmethionine (SAM), S-adenosylhomocysteine (SAH), Tris, Tween20, dimethylsulfoxide (DMSO), bovine skin gelatin (BSG), and Tris(2-carboxyethyl...

US Patent US10106510 (2018)


BindingDB Entry DOI: 10.7270/Q22V2J5G
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase SMYD3


(Homo sapiens (Human))		BDBM293336
PNG
(N-((1R,4r)-4-((R)-3- aminobutanamido) cyclohexyl)-...)
Show SMILES C[C@@H](N)CC(=O)N[C@H]1CC[C@@H](CC1)NC(=O)c1cc(on1)C1CC1 |r,wU:7.6,1.1,wD:10.13,(-9.4,-2.27,;-8.07,-1.5,;-8.07,.04,;-6.73,-2.27,;-5.4,-1.5,;-5.4,.04,;-4.07,-2.27,;-2.73,-1.5,;-2.73,.04,;-1.4,.81,;-.07,.04,;-.07,-1.5,;-1.4,-2.27,;1.27,.81,;2.6,.04,;2.6,-1.5,;3.93,.81,;5.18,-.1,;6.43,.81,;5.95,2.27,;4.41,2.27,;7.91,.41,;9,-.68,;9.4,.81,)|
Show InChI InChI=1S/C17H26N4O3/c1-10(18)8-16(22)19-12-4-6-13(7-5-12)20-17(23)14-9-15(24-21-14)11-2-3-11/h9-13H,2-8,18H2,1H3,(H,19,22)(H,20,23)/t10-,12-,13-/m1/s1
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n/an/a 400n/an/an/an/an/an/a



EPIZYME, INC.

US Patent


Assay Description
S-adenosylmethionine (SAM), S-adenosylhomocysteine (SAH), Tris, Tween20, dimethylsulfoxide (DMSO), bovine skin gelatin (BSG), and Tris(2-carboxyethyl...

US Patent US10106510 (2018)


BindingDB Entry DOI: 10.7270/Q22V2J5G
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase SMYD3


(Homo sapiens (Human))		BDBM293369
PNG
(N-((1r,4r)-4-(3-amino- N-(3-aminopropyl) propanami...)
Show SMILES NCCCN([C@H]1CC[C@@H](CC1)NC(=O)c1cc(on1)C1CC1)C(=O)CCN |r,wU:8.11,wD:5.4,(6.73,3.08,;5.4,3.85,;4.07,3.08,;2.73,3.85,;1.4,3.08,;1.4,1.54,;.07,.77,;.07,-.77,;1.4,-1.54,;2.73,-.77,;2.73,.77,;1.4,-3.08,;.07,-3.85,;.07,-5.39,;-1.27,-3.08,;-2.51,-3.99,;-3.76,-3.08,;-3.28,-1.62,;-1.74,-1.62,;-5.25,-3.48,;-6.73,-3.08,;-6.34,-4.57,;.07,3.85,;.07,5.39,;-1.27,3.08,;-2.6,3.85,;-3.93,3.08,)|
Show InChI InChI=1S/C19H31N5O3/c20-9-1-11-24(18(25)8-10-21)15-6-4-14(5-7-15)22-19(26)16-12-17(27-23-16)13-2-3-13/h12-15H,1-11,20-21H2,(H,22,26)/t14-,15-
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EPIZYME, INC.

US Patent


Assay Description
S-adenosylmethionine (SAM), S-adenosylhomocysteine (SAH), Tris, Tween20, dimethylsulfoxide (DMSO), bovine skin gelatin (BSG), and Tris(2-carboxyethyl...

US Patent US10106510 (2018)


BindingDB Entry DOI: 10.7270/Q22V2J5G
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase SMYD3


(Homo sapiens (Human))		BDBM293332
PNG
(N-((1r,4r)-4-(3- aminobutanamido) cyclohexyl)-5- c...)
Show SMILES CC(N)CC(=O)N[C@H]1CC[C@@H](CC1)NC(=O)c1cc(on1)C1CC1 |r,wU:7.6,wD:10.13,(-9.4,-2.27,;-8.07,-1.5,;-8.07,.04,;-6.73,-2.27,;-5.4,-1.5,;-5.4,.04,;-4.07,-2.27,;-2.73,-1.5,;-2.73,.04,;-1.4,.81,;-.07,.04,;-.07,-1.5,;-1.4,-2.27,;1.27,.81,;2.6,.04,;2.6,-1.5,;3.93,.81,;5.18,-.1,;6.43,.81,;5.95,2.27,;4.41,2.27,;7.91,.41,;9,-.68,;9.4,.81,)|
Show InChI InChI=1S/C17H26N4O3/c1-10(18)8-16(22)19-12-4-6-13(7-5-12)20-17(23)14-9-15(24-21-14)11-2-3-11/h9-13H,2-8,18H2,1H3,(H,19,22)(H,20,23)/t10?,12-,13-
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EPIZYME, INC.

US Patent


Assay Description
S-adenosylmethionine (SAM), S-adenosylhomocysteine (SAH), Tris, Tween20, dimethylsulfoxide (DMSO), bovine skin gelatin (BSG), and Tris(2-carboxyethyl...

US Patent US10106510 (2018)


BindingDB Entry DOI: 10.7270/Q22V2J5G
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase SMYD3


(Homo sapiens (Human))		BDBM293335
PNG
(N-((1r,4r)-4-(3- aminopropanamido) cyclohexyl)-5- ...)
Show SMILES NCCC(=O)N[C@H]1CC[C@@H](CC1)NC(=O)c1cc(on1)C1CC1 |r,wU:6.5,wD:9.12,(-9.4,-2.27,;-8.07,-1.5,;-6.73,-2.27,;-5.4,-1.5,;-5.4,.04,;-4.07,-2.27,;-2.73,-1.5,;-2.73,.04,;-1.4,.81,;-.07,.04,;-.07,-1.5,;-1.4,-2.27,;1.27,.81,;2.6,.04,;2.6,-1.5,;3.93,.81,;5.18,-.1,;6.43,.81,;5.95,2.27,;4.41,2.27,;7.91,.41,;9,-.68,;9.4,.81,)|
Show InChI InChI=1S/C16H24N4O3/c17-8-7-15(21)18-11-3-5-12(6-4-11)19-16(22)13-9-14(23-20-13)10-1-2-10/h9-12H,1-8,17H2,(H,18,21)(H,19,22)/t11-,12-
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EPIZYME, INC.

US Patent


Assay Description
S-adenosylmethionine (SAM), S-adenosylhomocysteine (SAH), Tris, Tween20, dimethylsulfoxide (DMSO), bovine skin gelatin (BSG), and Tris(2-carboxyethyl...

US Patent US10106510 (2018)


BindingDB Entry DOI: 10.7270/Q22V2J5G
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase SMYD3


(Homo sapiens (Human))		BDBM293356
PNG
(N-((1S,4r)-4-((1S,3R)-3- aminocyclopentane-1- carb...)
Show SMILES N[C@@H]1CC[C@@H](C1)C(=O)N[C@H]1CC[C@@H](CC1)NC(=O)c1cc(on1)C1CC1 |r,wU:9.9,4.6,1.0,wD:12.16,(10.06,1.14,;8.57,1.54,;8.09,3,;6.55,3,;6.08,1.54,;7.32,.63,;4.74,.77,;4.74,-.77,;3.41,1.54,;2.08,.77,;2.08,-.77,;.74,-1.54,;-.59,-.77,;-.59,.77,;.74,1.54,;-1.92,-1.54,;-3.26,-.77,;-3.26,.77,;-4.59,-1.54,;-5.84,-.63,;-7.08,-1.54,;-6.61,-3,;-5.07,-3,;-8.57,-1.14,;-9.66,-.05,;-10.06,-1.54,)|
Show InChI InChI=1S/C19H28N4O3/c20-13-4-3-12(9-13)18(24)21-14-5-7-15(8-6-14)22-19(25)16-10-17(26-23-16)11-1-2-11/h10-15H,1-9,20H2,(H,21,24)(H,22,25)/t12-,13+,14-,15-/m0/s1
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EPIZYME, INC.

US Patent


Assay Description
S-adenosylmethionine (SAM), S-adenosylhomocysteine (SAH), Tris, Tween20, dimethylsulfoxide (DMSO), bovine skin gelatin (BSG), and Tris(2-carboxyethyl...

US Patent US10106510 (2018)


BindingDB Entry DOI: 10.7270/Q22V2J5G
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase SMYD3


(Homo sapiens (Human))		BDBM293334
PNG
(N-((1r,4r)-4-(2-amino- cyclobutane-1- carboxamido)...)
Show SMILES NC1CCC1C(=O)N[C@H]1CC[C@@H](CC1)NC(=O)c1cc(on1)C1CC1 |r,wU:8.8,wD:11.15,(6.75,3.68,;7.52,2.35,;9.01,1.95,;8.61,.46,;7.13,.86,;5.79,.09,;5.79,-1.45,;4.46,.86,;3.12,.09,;3.12,-1.45,;1.79,-2.22,;.46,-1.45,;.46,.09,;1.79,.86,;-.88,-2.22,;-2.21,-1.45,;-2.21,.09,;-3.54,-2.22,;-4.79,-1.31,;-6.04,-2.22,;-5.56,-3.68,;-4.02,-3.68,;-7.52,-1.82,;-8.61,-.73,;-9.01,-2.22,)|
Show InChI InChI=1S/C18H26N4O3/c19-14-8-7-13(14)17(23)20-11-3-5-12(6-4-11)21-18(24)15-9-16(25-22-15)10-1-2-10/h9-14H,1-8,19H2,(H,20,23)(H,21,24)/t11-,12-,13?,14?
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EPIZYME, INC.

US Patent


Assay Description
S-adenosylmethionine (SAM), S-adenosylhomocysteine (SAH), Tris, Tween20, dimethylsulfoxide (DMSO), bovine skin gelatin (BSG), and Tris(2-carboxyethyl...

US Patent US10106510 (2018)


BindingDB Entry DOI: 10.7270/Q22V2J5G
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase SMYD3


(Homo sapiens (Human))		BDBM293368
PNG
(N-((1S,4r)-4-((1S,3S)-3- aminocyclopentane-1- carb...)
Show SMILES N[C@H]1CC[C@@H](C1)C(=O)N[C@H]1CC[C@@H](CC1)NC(=O)c1cc(on1)C1CC1 |r,wU:9.9,4.6,wD:12.16,1.0,(10.06,1.14,;8.57,1.54,;8.09,3,;6.55,3,;6.08,1.54,;7.32,.63,;4.74,.77,;4.74,-.77,;3.41,1.54,;2.08,.77,;2.08,-.77,;.74,-1.54,;-.59,-.77,;-.59,.77,;.74,1.54,;-1.92,-1.54,;-3.26,-.77,;-3.26,.77,;-4.59,-1.54,;-5.84,-.63,;-7.08,-1.54,;-6.61,-3,;-5.07,-3,;-8.57,-1.14,;-9.66,-.05,;-10.06,-1.54,)|
Show InChI InChI=1S/C19H28N4O3/c20-13-4-3-12(9-13)18(24)21-14-5-7-15(8-6-14)22-19(25)16-10-17(26-23-16)11-1-2-11/h10-15H,1-9,20H2,(H,21,24)(H,22,25)/t12-,13-,14-,15-/m0/s1
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n/an/a 562n/an/an/an/an/an/a



EPIZYME, INC.

US Patent


Assay Description
S-adenosylmethionine (SAM), S-adenosylhomocysteine (SAH), Tris, Tween20, dimethylsulfoxide (DMSO), bovine skin gelatin (BSG), and Tris(2-carboxyethyl...

US Patent US10106510 (2018)


BindingDB Entry DOI: 10.7270/Q22V2J5G
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase SMYD3


(Homo sapiens (Human))		BDBM293363
PNG
(N-((1r,4r)-4-(3-amino-2- hydroxypropanamido) cyclo...)
Show SMILES NCC(O)C(=O)N[C@H]1CC[C@@H](CC1)NC(=O)c1cc(on1)C1CC1 |r,wU:7.6,wD:10.13,(9.4,1.5,;8.07,.73,;6.73,1.5,;6.73,3.04,;5.4,.73,;5.4,-.81,;4.07,1.5,;2.73,.73,;2.73,-.81,;1.4,-1.58,;.07,-.81,;.07,.73,;1.4,1.5,;-1.27,-1.58,;-2.6,-.81,;-2.6,.73,;-3.93,-1.58,;-5.18,-.67,;-6.43,-1.58,;-5.95,-3.04,;-4.41,-3.04,;-7.91,-1.18,;-9,-.09,;-9.4,-1.58,)|
Show InChI InChI=1S/C16H24N4O4/c17-8-13(21)16(23)19-11-5-3-10(4-6-11)18-15(22)12-7-14(24-20-12)9-1-2-9/h7,9-11,13,21H,1-6,8,17H2,(H,18,22)(H,19,23)/t10-,11-,13?
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n/an/a 567n/an/an/an/an/an/a



EPIZYME, INC.

US Patent


Assay Description
S-adenosylmethionine (SAM), S-adenosylhomocysteine (SAH), Tris, Tween20, dimethylsulfoxide (DMSO), bovine skin gelatin (BSG), and Tris(2-carboxyethyl...

US Patent US10106510 (2018)


BindingDB Entry DOI: 10.7270/Q22V2J5G
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase SMYD3


(Homo sapiens (Human))		BDBM293349
PNG
(N-((1R,4r)-4-((1r,4R)-4- aminocyclohexane-1- carbo...)
Show SMILES N[C@H]1CC[C@@H](CC1)C(=O)N[C@H]1CC[C@@H](CC1)NC(=O)c1cc(on1)C1CC1 |r,wU:10.10,1.0,wD:4.7,13.17,(-10.07,-3.43,;-8.73,-2.66,;-8.73,-1.12,;-7.4,-.35,;-6.07,-1.12,;-6.07,-2.66,;-7.4,-3.43,;-4.73,-.35,;-4.73,1.19,;-3.4,-1.12,;-2.07,-.35,;-2.07,1.19,;-.73,1.96,;.6,1.19,;.6,-.35,;-.73,-1.12,;1.93,1.96,;3.27,1.19,;3.27,-.35,;4.6,1.96,;5.85,1.06,;7.09,1.96,;6.62,3.43,;5.08,3.43,;8.58,1.56,;9.67,.48,;10.07,1.96,)|
Show InChI InChI=1S/C20H30N4O3/c21-14-5-3-13(4-6-14)19(25)22-15-7-9-16(10-8-15)23-20(26)17-11-18(27-24-17)12-1-2-12/h11-16H,1-10,21H2,(H,22,25)(H,23,26)/t13-,14-,15-,16-
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n/an/a 606n/an/an/an/an/an/a



EPIZYME, INC.

US Patent


Assay Description
S-adenosylmethionine (SAM), S-adenosylhomocysteine (SAH), Tris, Tween20, dimethylsulfoxide (DMSO), bovine skin gelatin (BSG), and Tris(2-carboxyethyl...

US Patent US10106510 (2018)


BindingDB Entry DOI: 10.7270/Q22V2J5G
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase SMYD3


(Homo sapiens (Human))		BDBM293355
PNG
(N-((1S,4r)-4-((1S,3S)-3- aminocyclohexane-1- carbo...)
Show SMILES N[C@H]1CCC[C@@H](C1)C(=O)N[C@H]1CC[C@@H](CC1)NC(=O)c1cc(on1)C1CC1 |r,wU:5.7,10.10,wD:13.17,1.0,(-10.07,-.35,;-8.73,-1.12,;-8.73,-2.66,;-7.4,-3.43,;-6.07,-2.66,;-6.07,-1.12,;-7.4,-.35,;-4.73,-.35,;-4.73,1.19,;-3.4,-1.12,;-2.07,-.35,;-2.07,1.19,;-.73,1.96,;.6,1.19,;.6,-.35,;-.73,-1.12,;1.93,1.96,;3.27,1.19,;3.27,-.35,;4.6,1.96,;5.85,1.06,;7.09,1.96,;6.62,3.43,;5.08,3.43,;8.58,1.56,;9.67,.48,;10.07,1.96,)|
Show InChI InChI=1S/C20H30N4O3/c21-14-3-1-2-13(10-14)19(25)22-15-6-8-16(9-7-15)23-20(26)17-11-18(27-24-17)12-4-5-12/h11-16H,1-10,21H2,(H,22,25)(H,23,26)/t13-,14-,15-,16-/m0/s1
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n/an/a 625n/an/an/an/an/an/a



EPIZYME, INC.

US Patent


Assay Description
S-adenosylmethionine (SAM), S-adenosylhomocysteine (SAH), Tris, Tween20, dimethylsulfoxide (DMSO), bovine skin gelatin (BSG), and Tris(2-carboxyethyl...

US Patent US10106510 (2018)


BindingDB Entry DOI: 10.7270/Q22V2J5G
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase SMYD3


(Homo sapiens (Human))		BDBM293339
PNG
(N-((1r,4r)-4-(3-amino-2- methylpropanamido) cycloh...)
Show SMILES CC(CN)C(=O)N[C@H]1CC[C@@H](CC1)NC(=O)c1cc(on1)C1CC1 |r,wU:7.6,wD:10.13,(6.73,3.04,;6.73,1.5,;8.07,.73,;9.4,1.5,;5.4,.73,;5.4,-.81,;4.07,1.5,;2.73,.73,;2.73,-.81,;1.4,-1.58,;.07,-.81,;.07,.73,;1.4,1.5,;-1.27,-1.58,;-2.6,-.81,;-2.6,.73,;-3.93,-1.58,;-5.18,-.67,;-6.43,-1.58,;-5.95,-3.04,;-4.41,-3.04,;-7.91,-1.18,;-9,-.09,;-9.4,-1.58,)|
Show InChI InChI=1S/C17H26N4O3/c1-10(9-18)16(22)19-12-4-6-13(7-5-12)20-17(23)14-8-15(24-21-14)11-2-3-11/h8,10-13H,2-7,9,18H2,1H3,(H,19,22)(H,20,23)/t10?,12-,13-
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n/an/a 654n/an/an/an/an/an/a



EPIZYME, INC.

US Patent


Assay Description
S-adenosylmethionine (SAM), S-adenosylhomocysteine (SAH), Tris, Tween20, dimethylsulfoxide (DMSO), bovine skin gelatin (BSG), and Tris(2-carboxyethyl...

US Patent US10106510 (2018)


BindingDB Entry DOI: 10.7270/Q22V2J5G
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase SMYD3


(Homo sapiens (Human))		BDBM293351
PNG
(N-((1r,4r)-4-(3- (benzylamino) propanamido) cycloh...)
Show SMILES O=C(CCNCc1ccccc1)N[C@H]1CC[C@@H](CC1)NC(=O)c1cc(on1)C1CC1 |r,wU:13.13,wD:16.20,(-2.73,1.19,;-2.73,-.35,;-4.07,-1.12,;-5.4,-.35,;-6.73,-1.12,;-8.07,-.35,;-9.4,-1.12,;-10.74,-.35,;-12.07,-1.12,;-12.07,-2.66,;-10.74,-3.43,;-9.4,-2.66,;-1.4,-1.12,;-.07,-.35,;-.07,1.19,;1.27,1.96,;2.6,1.19,;2.6,-.35,;1.27,-1.12,;3.93,1.96,;5.27,1.19,;5.27,-.35,;6.6,1.96,;7.85,1.06,;9.09,1.96,;8.62,3.43,;7.08,3.43,;10.58,1.56,;11.67,.48,;12.07,1.96,)|
Show InChI InChI=1S/C23H30N4O3/c28-22(12-13-24-15-16-4-2-1-3-5-16)25-18-8-10-19(11-9-18)26-23(29)20-14-21(30-27-20)17-6-7-17/h1-5,14,17-19,24H,6-13,15H2,(H,25,28)(H,26,29)/t18-,19-
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n/an/a 671n/an/an/an/an/an/a



EPIZYME, INC.

US Patent


Assay Description
S-adenosylmethionine (SAM), S-adenosylhomocysteine (SAH), Tris, Tween20, dimethylsulfoxide (DMSO), bovine skin gelatin (BSG), and Tris(2-carboxyethyl...

US Patent US10106510 (2018)


BindingDB Entry DOI: 10.7270/Q22V2J5G
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase SMYD3


(Homo sapiens (Human))		BDBM293364
PNG
(N-((1r,4r)-4-((2- aminoethyl)amino) cyclohexyl)-5-...)
Show SMILES NCCN[C@H]1CC[C@@H](CC1)NC(=O)c1cc(on1)C1CC1 |r,wU:7.10,wD:4.3,(8.73,1.5,;7.4,2.27,;6.07,1.5,;4.73,2.27,;3.4,1.5,;2.07,2.27,;.73,1.5,;.73,-.04,;2.07,-.81,;3.4,-.04,;-.6,-.81,;-1.93,-.04,;-1.93,1.5,;-3.27,-.81,;-4.51,.1,;-5.76,-.81,;-5.28,-2.27,;-3.74,-2.27,;-7.25,-.41,;-8.34,.68,;-8.73,-.81,)|
Show InChI InChI=1S/C15H24N4O2/c16-7-8-17-11-3-5-12(6-4-11)18-15(20)13-9-14(21-19-13)10-1-2-10/h9-12,17H,1-8,16H2,(H,18,20)/t11-,12-
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n/an/a 853n/an/an/an/an/an/a



EPIZYME, INC.

US Patent


Assay Description
S-adenosylmethionine (SAM), S-adenosylhomocysteine (SAH), Tris, Tween20, dimethylsulfoxide (DMSO), bovine skin gelatin (BSG), and Tris(2-carboxyethyl...

US Patent US10106510 (2018)


BindingDB Entry DOI: 10.7270/Q22V2J5G
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase SMYD3


(Homo sapiens (Human))		BDBM293343
PNG
(5-cyclopropyl-N-((1r,4r)- 4-(3-(methylamino) propa...)
Show SMILES CNCCC(=O)N[C@H]1CC[C@@H](CC1)NC(=O)c1cc(on1)C1CC1 |r,wU:7.6,wD:10.13,(10.07,-1.5,;8.73,-2.27,;7.4,-1.5,;6.07,-2.27,;4.73,-1.5,;4.73,.04,;3.4,-2.27,;2.07,-1.5,;.73,-2.27,;-.6,-1.5,;-.6,.04,;.73,.81,;2.07,.04,;-1.93,.81,;-3.27,.04,;-3.27,-1.5,;-4.6,.81,;-5.85,-.1,;-7.09,.81,;-6.62,2.27,;-5.08,2.27,;-8.58,.41,;-10.07,.81,;-9.67,-.68,)|
Show InChI InChI=1S/C17H26N4O3/c1-18-9-8-16(22)19-12-4-6-13(7-5-12)20-17(23)14-10-15(24-21-14)11-2-3-11/h10-13,18H,2-9H2,1H3,(H,19,22)(H,20,23)/t12-,13-
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n/an/a 867n/an/an/an/an/an/a



EPIZYME, INC.

US Patent


Assay Description
S-adenosylmethionine (SAM), S-adenosylhomocysteine (SAH), Tris, Tween20, dimethylsulfoxide (DMSO), bovine skin gelatin (BSG), and Tris(2-carboxyethyl...

US Patent US10106510 (2018)


BindingDB Entry DOI: 10.7270/Q22V2J5G
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase SMYD3


(Homo sapiens (Human))		BDBM293340
PNG
(N-((1r,4r)-4-(3-amino- N-(2-hydroxyethyl) propanam...)
Show SMILES NCCC(=O)N(CCO)[C@H]1CC[C@@H](CC1)NC(=O)c1cc(on1)C1CC1 |r,wU:9.8,wD:12.15,(-6.73,3.08,;-5.4,3.85,;-4.07,3.08,;-2.73,3.85,;-2.73,5.39,;-1.4,3.08,;-.07,3.85,;1.27,3.08,;2.6,3.85,;-1.4,1.54,;-.07,.77,;-.07,-.77,;-1.4,-1.54,;-2.73,-.77,;-2.73,.77,;-1.4,-3.08,;-.07,-3.85,;-.07,-5.39,;1.27,-3.08,;2.51,-3.99,;3.76,-3.08,;3.28,-1.62,;1.74,-1.62,;5.25,-3.48,;6.34,-4.57,;6.73,-3.08,)|
Show InChI InChI=1S/C18H28N4O4/c19-8-7-17(24)22(9-10-23)14-5-3-13(4-6-14)20-18(25)15-11-16(26-21-15)12-1-2-12/h11-14,23H,1-10,19H2,(H,20,25)/t13-,14-
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n/an/a 883n/an/an/an/an/an/a



EPIZYME, INC.

US Patent


Assay Description
S-adenosylmethionine (SAM), S-adenosylhomocysteine (SAH), Tris, Tween20, dimethylsulfoxide (DMSO), bovine skin gelatin (BSG), and Tris(2-carboxyethyl...

US Patent US10106510 (2018)


BindingDB Entry DOI: 10.7270/Q22V2J5G
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase SMYD3


(Homo sapiens (Human))		BDBM293352
PNG
(5-cyclopropyl-N- ((1r,4r)-4-(3- (isobutylamino) pr...)
Show SMILES CC(C)CNCCC(=O)N[C@H]1CC[C@@H](CC1)NC(=O)c1cc(on1)C1CC1 |r,wU:10.9,wD:13.16,(11.4,.73,;10.07,1.5,;10.07,3.04,;8.73,.73,;7.4,1.5,;6.07,.73,;4.73,1.5,;3.4,.73,;3.4,-.81,;2.07,1.5,;.73,.73,;.73,-.81,;-.6,-1.58,;-1.93,-.81,;-1.93,.73,;-.6,1.5,;-3.27,-1.58,;-4.6,-.81,;-4.6,.73,;-5.94,-1.58,;-7.18,-.67,;-8.43,-1.58,;-7.95,-3.04,;-6.41,-3.04,;-9.91,-1.18,;-11,-.09,;-11.4,-1.58,)|
Show InChI InChI=1S/C20H32N4O3/c1-13(2)12-21-10-9-19(25)22-15-5-7-16(8-6-15)23-20(26)17-11-18(27-24-17)14-3-4-14/h11,13-16,21H,3-10,12H2,1-2H3,(H,22,25)(H,23,26)/t15-,16-
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n/an/a 919n/an/an/an/an/an/a



EPIZYME, INC.

US Patent


Assay Description
S-adenosylmethionine (SAM), S-adenosylhomocysteine (SAH), Tris, Tween20, dimethylsulfoxide (DMSO), bovine skin gelatin (BSG), and Tris(2-carboxyethyl...

US Patent US10106510 (2018)


BindingDB Entry DOI: 10.7270/Q22V2J5G
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase SMYD3


(Homo sapiens (Human))		BDBM293367
PNG
(N-((1S,4r)-4-((S)- 4-amino-3-hydroxy- butanamido) ...)
Show SMILES NC[C@@H](O)CC(=O)N[C@H]1CC[C@@H](CC1)NC(=O)c1cc(on1)C1CC1 |r,wU:8.7,wD:11.14,2.2,(10.07,-1.5,;8.73,-2.27,;7.4,-1.5,;7.4,.04,;6.07,-2.27,;4.73,-1.5,;4.73,.04,;3.4,-2.27,;2.07,-1.5,;.73,-2.27,;-.6,-1.5,;-.6,.04,;.73,.81,;2.07,.04,;-1.93,.81,;-3.27,.04,;-3.27,-1.5,;-4.6,.81,;-5.85,-.1,;-7.09,.81,;-6.62,2.27,;-5.08,2.27,;-8.58,.41,;-10.07,.81,;-9.67,-.68,)|
Show InChI InChI=1S/C17H26N4O4/c18-9-13(22)7-16(23)19-11-3-5-12(6-4-11)20-17(24)14-8-15(25-21-14)10-1-2-10/h8,10-13,22H,1-7,9,18H2,(H,19,23)(H,20,24)/t11-,12-,13-/m0/s1
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n/an/a 1.08E+3n/an/an/an/an/an/a



EPIZYME, INC.

US Patent


Assay Description
S-adenosylmethionine (SAM), S-adenosylhomocysteine (SAH), Tris, Tween20, dimethylsulfoxide (DMSO), bovine skin gelatin (BSG), and Tris(2-carboxyethyl...

US Patent US10106510 (2018)


BindingDB Entry DOI: 10.7270/Q22V2J5G
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase SMYD3


(Homo sapiens (Human))		BDBM293350
PNG
(5-cyclopropyl-N-((1r,4r)- 4-(3-(piperazin-1- yl)pr...)
Show SMILES O=C(CCN1CCNCC1)N[C@H]1CC[C@@H](CC1)NC(=O)c1cc(on1)C1CC1 |r,wU:11.11,wD:14.18,(4.07,-1.19,;4.07,.35,;5.4,1.12,;6.73,.35,;8.07,1.12,;9.4,.35,;10.74,1.12,;10.74,2.66,;9.4,3.43,;8.07,2.66,;2.73,1.12,;1.4,.35,;1.4,-1.19,;.07,-1.96,;-1.27,-1.19,;-1.27,.35,;.07,1.12,;-2.6,-1.96,;-3.93,-1.19,;-3.93,.35,;-5.27,-1.96,;-6.51,-1.06,;-7.76,-1.96,;-7.28,-3.43,;-5.74,-3.43,;-9.25,-1.56,;-10.34,-.48,;-10.74,-1.96,)|
Show InChI InChI=1S/C20H31N5O3/c26-19(7-10-25-11-8-21-9-12-25)22-15-3-5-16(6-4-15)23-20(27)17-13-18(28-24-17)14-1-2-14/h13-16,21H,1-12H2,(H,22,26)(H,23,27)/t15-,16-
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n/an/a 1.15E+3n/an/an/an/an/an/a



EPIZYME, INC.

US Patent


Assay Description
S-adenosylmethionine (SAM), S-adenosylhomocysteine (SAH), Tris, Tween20, dimethylsulfoxide (DMSO), bovine skin gelatin (BSG), and Tris(2-carboxyethyl...

US Patent US10106510 (2018)


BindingDB Entry DOI: 10.7270/Q22V2J5G
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase SMYD3


(Homo sapiens (Human))		BDBM293346
PNG
(N-((1R,4r)-4-((1s,3S)-3- aminocyclobutane-1- carbo...)
Show SMILES N[C@H]1C[C@H](C1)C(=O)N[C@H]1CC[C@@H](CC1)NC(=O)c1cc(on1)C1CC1 |r,wU:8.8,3.5,1.0,wD:11.15,(9.68,3.2,;8.34,2.43,;7.95,.94,;6.46,1.34,;6.86,2.83,;5.12,.57,;5.12,-.97,;3.79,1.34,;2.46,.57,;2.46,-.97,;1.12,-1.74,;-.21,-.97,;-.21,.57,;1.12,1.34,;-1.54,-1.74,;-2.88,-.97,;-2.88,.57,;-4.21,-1.74,;-5.46,-.83,;-6.7,-1.74,;-6.23,-3.2,;-4.69,-3.2,;-8.19,-1.34,;-9.28,-.25,;-9.68,-1.74,)|
Show InChI InChI=1S/C18H26N4O3/c19-12-7-11(8-12)17(23)20-13-3-5-14(6-4-13)21-18(24)15-9-16(25-22-15)10-1-2-10/h9-14H,1-8,19H2,(H,20,23)(H,21,24)/t11-,12+,13-,14-
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n/an/a 1.18E+3n/an/an/an/an/an/a



EPIZYME, INC.

US Patent


Assay Description
S-adenosylmethionine (SAM), S-adenosylhomocysteine (SAH), Tris, Tween20, dimethylsulfoxide (DMSO), bovine skin gelatin (BSG), and Tris(2-carboxyethyl...

US Patent US10106510 (2018)


BindingDB Entry DOI: 10.7270/Q22V2J5G
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase SMYD3


(Homo sapiens (Human))		BDBM293362
PNG
(N-((1S,4r)-4-((1S,3R)-3- aminocyclohexane-1- carbo...)
Show SMILES N[C@@H]1CCC[C@@H](C1)C(=O)N[C@H]1CC[C@@H](CC1)NC(=O)c1cc(on1)C1CC1 |r,wU:5.7,10.10,1.0,wD:13.17,(-10.07,-.35,;-8.73,-1.12,;-8.73,-2.66,;-7.4,-3.43,;-6.07,-2.66,;-6.07,-1.12,;-7.4,-.35,;-4.73,-.35,;-4.73,1.19,;-3.4,-1.12,;-2.07,-.35,;-2.07,1.19,;-.73,1.96,;.6,1.19,;.6,-.35,;-.73,-1.12,;1.93,1.96,;3.27,1.19,;3.27,-.35,;4.6,1.96,;5.85,1.06,;7.09,1.96,;6.62,3.43,;5.08,3.43,;8.58,1.56,;9.67,.48,;10.07,1.96,)|
Show InChI InChI=1S/C20H30N4O3/c21-14-3-1-2-13(10-14)19(25)22-15-6-8-16(9-7-15)23-20(26)17-11-18(27-24-17)12-4-5-12/h11-16H,1-10,21H2,(H,22,25)(H,23,26)/t13-,14+,15-,16-/m0/s1
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n/an/a 1.19E+3n/an/an/an/an/an/a



EPIZYME, INC.

US Patent


Assay Description
S-adenosylmethionine (SAM), S-adenosylhomocysteine (SAH), Tris, Tween20, dimethylsulfoxide (DMSO), bovine skin gelatin (BSG), and Tris(2-carboxyethyl...

US Patent US10106510 (2018)


BindingDB Entry DOI: 10.7270/Q22V2J5G
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase SMYD3


(Homo sapiens (Human))		BDBM293374
PNG
(N-((1r,4r)-4-(3-amino- N-(3-hydroxypropyl) propana...)
Show SMILES NCCC(=O)N(CCCO)[C@H]1CC[C@@H](CC1)NC(=O)c1cc(on1)C1CC1 |r,wU:10.9,wD:13.16,(-6.73,3.08,;-5.4,3.85,;-4.07,3.08,;-2.73,3.85,;-2.73,5.39,;-1.4,3.08,;-.07,3.85,;1.27,3.08,;2.6,3.85,;3.93,3.08,;-1.4,1.54,;-.07,.77,;-.07,-.77,;-1.4,-1.54,;-2.73,-.77,;-2.73,.77,;-1.4,-3.08,;-.07,-3.85,;-.07,-5.39,;1.27,-3.08,;2.51,-3.99,;3.76,-3.08,;3.28,-1.62,;1.74,-1.62,;5.25,-3.48,;6.34,-4.57,;6.73,-3.08,)|
Show InChI InChI=1S/C19H30N4O4/c20-9-8-18(25)23(10-1-11-24)15-6-4-14(5-7-15)21-19(26)16-12-17(27-22-16)13-2-3-13/h12-15,24H,1-11,20H2,(H,21,26)/t14-,15-
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n/an/a 1.20E+3n/an/an/an/an/an/a



EPIZYME, INC.

US Patent


Assay Description
S-adenosylmethionine (SAM), S-adenosylhomocysteine (SAH), Tris, Tween20, dimethylsulfoxide (DMSO), bovine skin gelatin (BSG), and Tris(2-carboxyethyl...

US Patent US10106510 (2018)


BindingDB Entry DOI: 10.7270/Q22V2J5G
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase SMYD3


(Homo sapiens (Human))		BDBM293370
PNG
(N-((1r,4r)-4-((3-amino- propyl)sulfonamido) cycloh...)
Show SMILES NCCCS(=O)(=O)N[C@H]1CC[C@@H](CC1)NC(=O)c1cc(on1)C1CC1 |r,wU:8.7,wD:11.14,(10.07,1.22,;8.73,.45,;7.4,1.22,;6.07,.45,;4.73,1.22,;5.5,2.55,;3.96,-.11,;3.4,1.99,;2.07,1.22,;2.07,-.32,;.73,-1.09,;-.6,-.32,;-.6,1.22,;.73,1.99,;-1.93,-1.09,;-3.27,-.32,;-3.27,1.22,;-4.6,-1.09,;-5.85,-.18,;-7.09,-1.09,;-6.62,-2.55,;-5.08,-2.55,;-8.58,-.69,;-9.67,.4,;-10.07,-1.09,)|
Show InChI InChI=1S/C16H26N4O4S/c17-8-1-9-25(22,23)20-13-6-4-12(5-7-13)18-16(21)14-10-15(24-19-14)11-2-3-11/h10-13,20H,1-9,17H2,(H,18,21)/t12-,13-
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n/an/a 1.34E+3n/an/an/an/an/an/a



EPIZYME, INC.

US Patent


Assay Description
S-adenosylmethionine (SAM), S-adenosylhomocysteine (SAH), Tris, Tween20, dimethylsulfoxide (DMSO), bovine skin gelatin (BSG), and Tris(2-carboxyethyl...

US Patent US10106510 (2018)


BindingDB Entry DOI: 10.7270/Q22V2J5G
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase SMYD3


(Homo sapiens (Human))		BDBM293366
PNG
(N-((1R,4r)-4-((R)- 4-amino- 3-hydroxybutanamido) c...)
Show SMILES NC[C@H](O)CC(=O)N[C@H]1CC[C@@H](CC1)NC(=O)c1cc(on1)C1CC1 |r,wU:8.7,2.2,wD:11.14,(10.07,-1.5,;8.73,-2.27,;7.4,-1.5,;7.4,.04,;6.07,-2.27,;4.73,-1.5,;4.73,.04,;3.4,-2.27,;2.07,-1.5,;.73,-2.27,;-.6,-1.5,;-.6,.04,;.73,.81,;2.07,.04,;-1.93,.81,;-3.27,.04,;-3.27,-1.5,;-4.6,.81,;-5.85,-.1,;-7.09,.81,;-6.62,2.27,;-5.08,2.27,;-8.58,.41,;-10.07,.81,;-9.67,-.68,)|
Show InChI InChI=1S/C17H26N4O4/c18-9-13(22)7-16(23)19-11-3-5-12(6-4-11)20-17(24)14-8-15(25-21-14)10-1-2-10/h8,10-13,22H,1-7,9,18H2,(H,19,23)(H,20,24)/t11-,12-,13-/m1/s1
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n/an/a 1.69E+3n/an/an/an/an/an/a



EPIZYME, INC.

US Patent


Assay Description
S-adenosylmethionine (SAM), S-adenosylhomocysteine (SAH), Tris, Tween20, dimethylsulfoxide (DMSO), bovine skin gelatin (BSG), and Tris(2-carboxyethyl...

US Patent US10106510 (2018)


BindingDB Entry DOI: 10.7270/Q22V2J5G
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase SMYD3


(Homo sapiens (Human))		BDBM293340
PNG
(N-((1r,4r)-4-(3-amino- N-(2-hydroxyethyl) propanam...)
Show SMILES NCCC(=O)N(CCO)[C@H]1CC[C@@H](CC1)NC(=O)c1cc(on1)C1CC1 |r,wU:9.8,wD:12.15,(-6.73,3.08,;-5.4,3.85,;-4.07,3.08,;-2.73,3.85,;-2.73,5.39,;-1.4,3.08,;-.07,3.85,;1.27,3.08,;2.6,3.85,;-1.4,1.54,;-.07,.77,;-.07,-.77,;-1.4,-1.54,;-2.73,-.77,;-2.73,.77,;-1.4,-3.08,;-.07,-3.85,;-.07,-5.39,;1.27,-3.08,;2.51,-3.99,;3.76,-3.08,;3.28,-1.62,;1.74,-1.62,;5.25,-3.48,;6.34,-4.57,;6.73,-3.08,)|
Show InChI InChI=1S/C18H28N4O4/c19-8-7-17(24)22(9-10-23)14-5-3-13(4-6-14)20-18(25)15-11-16(26-21-15)12-1-2-12/h11-14,23H,1-10,19H2,(H,20,25)/t13-,14-
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n/an/a 2.28E+3n/an/an/an/an/an/a



EPIZYME, INC.

US Patent


Assay Description
S-adenosylmethionine (SAM), S-adenosylhomocysteine (SAH), Tris, Tween20, dimethylsulfoxide (DMSO), bovine skin gelatin (BSG), and Tris(2-carboxyethyl...

US Patent US10106510 (2018)


BindingDB Entry DOI: 10.7270/Q22V2J5G
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase SMYD3


(Homo sapiens (Human))		BDBM293333
PNG
(N-((1S,2R,4S)-4- amino-2- ethylcyclohexyl)-5- ethy...)
Show SMILES CC[C@@H]1C[C@@H](N)CC[C@@H]1NC(=O)c1cc(CC)on1 |r|
Show InChI InChI=1S/C14H23N3O2/c1-3-9-7-10(15)5-6-12(9)16-14(18)13-8-11(4-2)19-17-13/h8-10,12H,3-7,15H2,1-2H3,(H,16,18)/t9-,10+,12+/m1/s1
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n/an/a 2.44E+3n/an/an/an/an/an/a



EPIZYME, INC.

US Patent


Assay Description
S-adenosylmethionine (SAM), S-adenosylhomocysteine (SAH), Tris, Tween20, dimethylsulfoxide (DMSO), bovine skin gelatin (BSG), and Tris(2-carboxyethyl...

US Patent US10106510 (2018)


BindingDB Entry DOI: 10.7270/Q22V2J5G
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase SMYD3


(Homo sapiens (Human))		BDBM293360
PNG
(5-cyclopropyl-N- ((1r,4r)-4- (isobutylamino) cyclo...)
Show SMILES CC(C)CN[C@H]1CC[C@@H](CC1)NC(=O)c1cc(on1)C1CC1 |r,wU:5.4,wD:8.11,(8.73,.73,;7.4,1.5,;7.4,3.04,;6.07,.73,;4.73,1.5,;3.4,.73,;3.4,-.81,;2.07,-1.58,;.73,-.81,;.73,.73,;2.07,1.5,;-.6,-1.58,;-1.93,-.81,;-1.93,.73,;-3.27,-1.58,;-4.51,-.67,;-5.76,-1.58,;-5.28,-3.04,;-3.74,-3.04,;-7.25,-1.18,;-8.34,-.09,;-8.73,-1.58,)|
Show InChI InChI=1S/C17H27N3O2/c1-11(2)10-18-13-5-7-14(8-6-13)19-17(21)15-9-16(22-20-15)12-3-4-12/h9,11-14,18H,3-8,10H2,1-2H3,(H,19,21)/t13-,14-
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n/an/a 2.56E+3n/an/an/an/an/an/a



EPIZYME, INC.

US Patent


Assay Description
S-adenosylmethionine (SAM), S-adenosylhomocysteine (SAH), Tris, Tween20, dimethylsulfoxide (DMSO), bovine skin gelatin (BSG), and Tris(2-carboxyethyl...

US Patent US10106510 (2018)


BindingDB Entry DOI: 10.7270/Q22V2J5G
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase SMYD3


(Homo sapiens (Human))		BDBM293365
PNG
(N-((1r,4r)-4-((2- aminoethyl)sulfonamido) cyclohex...)
Show SMILES NCCS(=O)(=O)N[C@H]1CC[C@@H](CC1)NC(=O)c1cc(on1)C1CC1 |r,wU:7.6,wD:10.13,(-9.4,.45,;-8.07,1.22,;-6.73,.45,;-5.4,1.22,;-6.17,2.55,;-4.63,-.11,;-4.07,1.99,;-2.73,1.22,;-1.4,1.99,;-.07,1.22,;-.07,-.32,;-1.4,-1.09,;-2.73,-.32,;1.27,-1.09,;2.6,-.32,;2.6,1.22,;3.93,-1.09,;5.18,-.18,;6.43,-1.09,;5.95,-2.55,;4.41,-2.55,;7.91,-.69,;9.4,-1.09,;9,.4,)|
Show InChI InChI=1S/C15H24N4O4S/c16-7-8-24(21,22)19-12-5-3-11(4-6-12)17-15(20)13-9-14(23-18-13)10-1-2-10/h9-12,19H,1-8,16H2,(H,17,20)/t11-,12-
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n/an/a 2.90E+3n/an/an/an/an/an/a



EPIZYME, INC.

US Patent


Assay Description
S-adenosylmethionine (SAM), S-adenosylhomocysteine (SAH), Tris, Tween20, dimethylsulfoxide (DMSO), bovine skin gelatin (BSG), and Tris(2-carboxyethyl...

US Patent US10106510 (2018)


BindingDB Entry DOI: 10.7270/Q22V2J5G
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase SMYD3


(Homo sapiens (Human))		BDBM293383
PNG
(N-((1R,4r)-4-((R)-3- aminobutanamido) cyclohexyl)-...)
Show SMILES CC(C)CN([C@H]1CC[C@@H](CC1)NC(=O)C[C@@H](C)N)C(=O)c1cc(on1)C1CC1 |r,wU:5.4,wD:8.11,15.17,(5.4,-3.85,;4.07,-3.08,;4.07,-1.54,;2.73,-3.85,;1.4,-3.08,;1.4,-1.54,;.07,-.77,;.07,.77,;1.4,1.54,;2.73,.77,;2.73,-.77,;1.4,3.08,;2.73,3.85,;2.73,5.39,;4.07,3.08,;5.4,3.85,;6.73,3.08,;5.4,5.39,;.07,-3.85,;.07,-5.39,;-1.27,-3.08,;-2.51,-3.99,;-3.76,-3.08,;-3.28,-1.62,;-1.74,-1.62,;-5.25,-3.48,;-6.73,-3.08,;-6.34,-4.57,)|
Show InChI InChI=1S/C21H34N4O3/c1-13(2)12-25(21(27)18-11-19(28-24-18)15-4-5-15)17-8-6-16(7-9-17)23-20(26)10-14(3)22/h11,13-17H,4-10,12,22H2,1-3H3,(H,23,26)/t14-,16-,17-/m1/s1
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n/an/a 3.12E+3n/an/an/an/an/an/a



EPIZYME, INC.

US Patent


Assay Description
S-adenosylmethionine (SAM), S-adenosylhomocysteine (SAH), Tris, Tween20, dimethylsulfoxide (DMSO), bovine skin gelatin (BSG), and Tris(2-carboxyethyl...

US Patent US10106510 (2018)


BindingDB Entry DOI: 10.7270/Q22V2J5G
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase SMYD3


(Homo sapiens (Human))		BDBM293384
PNG
(N-((1S,4r)-4-((S)-3- aminobutanamido) cyclohexyl)-...)
Show SMILES CC(C)CN([C@H]1CC[C@@H](CC1)NC(=O)C[C@H](C)N)C(=O)c1cc(on1)C1CC1 |r,wU:5.4,15.17,wD:8.11,(5.4,-3.85,;4.07,-3.08,;4.07,-1.54,;2.73,-3.85,;1.4,-3.08,;1.4,-1.54,;.07,-.77,;.07,.77,;1.4,1.54,;2.73,.77,;2.73,-.77,;1.4,3.08,;2.73,3.85,;2.73,5.39,;4.07,3.08,;5.4,3.85,;6.73,3.08,;5.4,5.39,;.07,-3.85,;.07,-5.39,;-1.27,-3.08,;-2.51,-3.99,;-3.76,-3.08,;-3.28,-1.62,;-1.74,-1.62,;-5.25,-3.48,;-6.73,-3.08,;-6.34,-4.57,)|
Show InChI InChI=1S/C21H34N4O3/c1-13(2)12-25(21(27)18-11-19(28-24-18)15-4-5-15)17-8-6-16(7-9-17)23-20(26)10-14(3)22/h11,13-17H,4-10,12,22H2,1-3H3,(H,23,26)/t14-,16-,17-/m0/s1
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n/an/a 3.80E+3n/an/an/an/an/an/a



EPIZYME, INC.

US Patent


Assay Description
S-adenosylmethionine (SAM), S-adenosylhomocysteine (SAH), Tris, Tween20, dimethylsulfoxide (DMSO), bovine skin gelatin (BSG), and Tris(2-carboxyethyl...

US Patent US10106510 (2018)


BindingDB Entry DOI: 10.7270/Q22V2J5G
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase SMYD3


(Homo sapiens (Human))		BDBM293382
PNG
(N-((1r,4r)-4-(3- aminopropanamido) cyclohexyl)-N-b...)
Show SMILES NCCC(=O)N[C@H]1CC[C@@H](CC1)N(Cc1ccccc1)C(=O)c1cc(on1)C1CC1 |r,wU:6.5,wD:9.12,(-9.4,-3.85,;-8.07,-3.08,;-6.73,-3.85,;-5.4,-3.08,;-5.4,-1.54,;-4.07,-3.85,;-2.73,-3.08,;-2.73,-1.54,;-1.4,-.77,;-.07,-1.54,;-.07,-3.08,;-1.4,-3.85,;1.27,-.77,;1.27,.77,;-.07,1.54,;-.07,3.08,;-1.4,3.85,;-2.73,3.08,;-2.73,1.54,;-1.4,.77,;2.6,-1.54,;2.6,-3.08,;3.93,-.77,;5.18,-1.68,;6.43,-.77,;5.95,.69,;4.41,.69,;7.91,-1.17,;9,-2.26,;9.4,-.77,)|
Show InChI InChI=1S/C23H30N4O3/c24-13-12-22(28)25-18-8-10-19(11-9-18)27(15-16-4-2-1-3-5-16)23(29)20-14-21(30-26-20)17-6-7-17/h1-5,14,17-19H,6-13,15,24H2,(H,25,28)/t18-,19-
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n/an/a 4.34E+3n/an/an/an/an/an/a



EPIZYME, INC.

US Patent


Assay Description
S-adenosylmethionine (SAM), S-adenosylhomocysteine (SAH), Tris, Tween20, dimethylsulfoxide (DMSO), bovine skin gelatin (BSG), and Tris(2-carboxyethyl...

US Patent US10106510 (2018)


BindingDB Entry DOI: 10.7270/Q22V2J5G
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase SMYD3


(Homo sapiens (Human))		BDBM293379
PNG
(N-((1r,4r)-4-(3- aminopropanamido) cyclohcxyl)-5- ...)
Show SMILES CC(C)CN([C@H]1CC[C@@H](CC1)NC(=O)CCN)C(=O)c1cc(on1)C1CC1 |r,wU:5.4,wD:8.11,(5.4,-3.85,;4.07,-3.08,;4.07,-1.54,;2.73,-3.85,;1.4,-3.08,;1.4,-1.54,;.07,-.77,;.07,.77,;1.4,1.54,;2.73,.77,;2.73,-.77,;1.4,3.08,;2.73,3.85,;2.73,5.39,;4.07,3.08,;5.4,3.85,;6.73,3.08,;.07,-3.85,;.07,-5.39,;-1.27,-3.08,;-2.51,-3.99,;-3.76,-3.08,;-3.28,-1.62,;-1.74,-1.62,;-5.25,-3.48,;-6.73,-3.08,;-6.34,-4.57,)|
Show InChI InChI=1S/C20H32N4O3/c1-13(2)12-24(20(26)17-11-18(27-23-17)14-3-4-14)16-7-5-15(6-8-16)22-19(25)9-10-21/h11,13-16H,3-10,12,21H2,1-2H3,(H,22,25)/t15-,16-
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n/an/a 4.49E+3n/an/an/an/an/an/a



EPIZYME, INC.

US Patent


Assay Description
S-adenosylmethionine (SAM), S-adenosylhomocysteine (SAH), Tris, Tween20, dimethylsulfoxide (DMSO), bovine skin gelatin (BSG), and Tris(2-carboxyethyl...

US Patent US10106510 (2018)


BindingDB Entry DOI: 10.7270/Q22V2J5G
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase SMYD3


(Homo sapiens (Human))		BDBM293396
PNG
(N-((1r,4r)-4-(3- aminopropanamido) cyclohexyl)-5- ...)
Show SMILES CN([C@H]1CC[C@@H](CC1)NC(=O)CCN)C(=O)c1cc(on1)C1CC1 |r,wU:2.1,wD:5.8,(1.27,2.31,;1.27,.77,;-.07,,;-.07,-1.54,;-1.4,-2.31,;-2.73,-1.54,;-2.73,,;-1.4,.77,;-4.07,-2.31,;-5.4,-1.54,;-5.4,,;-6.73,-2.31,;-8.07,-1.54,;-9.4,-2.31,;2.6,,;2.6,-1.54,;3.93,.77,;5.18,-.14,;6.43,.77,;5.95,2.23,;4.41,2.23,;7.91,.37,;9,-.72,;9.4,.77,)|
Show InChI InChI=1S/C17H26N4O3/c1-21(17(23)14-10-15(24-20-14)11-2-3-11)13-6-4-12(5-7-13)19-16(22)8-9-18/h10-13H,2-9,18H2,1H3,(H,19,22)/t12-,13-
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n/an/a 5.29E+3n/an/an/an/an/an/a



EPIZYME, INC.

US Patent


Assay Description
S-adenosylmethionine (SAM), S-adenosylhomocysteine (SAH), Tris, Tween20, dimethylsulfoxide (DMSO), bovine skin gelatin (BSG), and Tris(2-carboxyethyl...

US Patent US10106510 (2018)


BindingDB Entry DOI: 10.7270/Q22V2J5G
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase SMYD3


(Homo sapiens (Human))		BDBM293377
PNG
(N-((1R,4r)-4-((R)-3- aminobutanamido) cyclohexyl)-...)
Show SMILES C[C@@H](N)CC(=O)N[C@H]1CC[C@@H](CC1)N(CCc1ccccc1)C(=O)c1cc(on1)C1CC1 |r,wU:7.6,1.1,wD:10.13,(-8.73,-2.27,;-7.4,-1.5,;-7.4,.04,;-6.07,-2.27,;-4.73,-1.5,;-4.73,.04,;-3.4,-2.27,;-2.07,-1.5,;-2.07,.04,;-.73,.81,;.6,.04,;.6,-1.5,;-.73,-2.27,;1.93,.81,;3.27,.04,;3.27,-1.5,;4.6,-2.27,;4.6,-3.81,;5.94,-4.58,;7.27,-3.81,;7.27,-2.27,;5.94,-1.5,;1.93,2.35,;.6,3.12,;3.27,3.12,;4.51,2.21,;5.76,3.12,;5.28,4.58,;3.74,4.58,;7.25,2.72,;8.34,1.63,;8.73,3.12,)|
Show InChI InChI=1S/C25H34N4O3/c1-17(26)15-24(30)27-20-9-11-21(12-10-20)29(14-13-18-5-3-2-4-6-18)25(31)22-16-23(32-28-22)19-7-8-19/h2-6,16-17,19-21H,7-15,26H2,1H3,(H,27,30)/t17-,20-,21-/m1/s1
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n/an/a 5.71E+3n/an/an/an/an/an/a



EPIZYME, INC.

US Patent


Assay Description
S-adenosylmethionine (SAM), S-adenosylhomocysteine (SAH), Tris, Tween20, dimethylsulfoxide (DMSO), bovine skin gelatin (BSG), and Tris(2-carboxyethyl...

US Patent US10106510 (2018)


BindingDB Entry DOI: 10.7270/Q22V2J5G
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase SMYD3


(Homo sapiens (Human))		BDBM293394
PNG
(N-((1S,4r)-4-((S)-3- aminobutanamido) cyclohexyl)-...)
Show SMILES C[C@H](N)CC(=O)N[C@H]1CC[C@@H](CC1)N(C)C(=O)c1cc(on1)C1CC1 |r,wU:7.6,wD:10.13,1.1,(-9.4,-2.31,;-8.07,-1.54,;-8.07,,;-6.73,-2.31,;-5.4,-1.54,;-5.4,,;-4.07,-2.31,;-2.73,-1.54,;-2.73,,;-1.4,.77,;-.07,,;-.07,-1.54,;-1.4,-2.31,;1.27,.77,;1.27,2.31,;2.6,,;2.6,-1.54,;3.93,.77,;5.18,-.14,;6.43,.77,;5.95,2.23,;4.41,2.23,;7.91,.37,;9,-.72,;9.4,.77,)|
Show InChI InChI=1S/C18H28N4O3/c1-11(19)9-17(23)20-13-5-7-14(8-6-13)22(2)18(24)15-10-16(25-21-15)12-3-4-12/h10-14H,3-9,19H2,1-2H3,(H,20,23)/t11-,13-,14-/m0/s1
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n/an/a 6.11E+3n/an/an/an/an/an/a



EPIZYME, INC.

US Patent


Assay Description
S-adenosylmethionine (SAM), S-adenosylhomocysteine (SAH), Tris, Tween20, dimethylsulfoxide (DMSO), bovine skin gelatin (BSG), and Tris(2-carboxyethyl...

US Patent US10106510 (2018)


BindingDB Entry DOI: 10.7270/Q22V2J5G
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase SMYD3


(Homo sapiens (Human))		BDBM293373
PNG
(5-cyclopropyl-N- ((1r,4r)-4- (ethylsulfonamido) cy...)
Show SMILES CCS(=O)(=O)N[C@H]1CC[C@@H](CC1)NC(=O)c1cc(on1)C1CC1 |r,wU:6.5,wD:9.12,(-8.73,1.22,;-7.4,.45,;-6.07,1.22,;-6.84,2.55,;-5.3,-.11,;-4.73,1.99,;-3.4,1.22,;-2.07,1.99,;-.73,1.22,;-.73,-.32,;-2.07,-1.09,;-3.4,-.32,;.6,-1.09,;1.93,-.32,;1.93,1.22,;3.27,-1.09,;4.51,-.18,;5.76,-1.09,;5.28,-2.55,;3.74,-2.55,;7.25,-.69,;8.73,-1.09,;8.34,.4,)|
Show InChI InChI=1S/C15H23N3O4S/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/h9-12,18H,2-8H2,1H3,(H,16,19)/t11-,12-
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n/an/a 6.36E+3n/an/an/an/an/an/a



EPIZYME, INC.

US Patent


Assay Description
S-adenosylmethionine (SAM), S-adenosylhomocysteine (SAH), Tris, Tween20, dimethylsulfoxide (DMSO), bovine skin gelatin (BSG), and Tris(2-carboxyethyl...

US Patent US10106510 (2018)


BindingDB Entry DOI: 10.7270/Q22V2J5G
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase SMYD3


(Homo sapiens (Human))		BDBM293372
PNG
(N-((1r,4r)-4-(N- (3-aminopropyl)- 3-hydroxypropana...)
Show SMILES NCCCN([C@H]1CC[C@@H](CC1)NC(=O)c1cc(on1)C1CC1)C(=O)CCO |r,wU:8.11,wD:5.4,(6.73,3.08,;5.4,3.85,;4.07,3.08,;2.73,3.85,;1.4,3.08,;1.4,1.54,;.07,.77,;.07,-.77,;1.4,-1.54,;2.73,-.77,;2.73,.77,;1.4,-3.08,;.07,-3.85,;.07,-5.39,;-1.27,-3.08,;-2.51,-3.99,;-3.76,-3.08,;-3.28,-1.62,;-1.74,-1.62,;-5.25,-3.48,;-6.73,-3.08,;-6.34,-4.57,;.07,3.85,;.07,5.39,;-1.27,3.08,;-2.6,3.85,;-3.93,3.08,)|
Show InChI InChI=1S/C19H30N4O4/c20-9-1-10-23(18(25)8-11-24)15-6-4-14(5-7-15)21-19(26)16-12-17(27-22-16)13-2-3-13/h12-15,24H,1-11,20H2,(H,21,26)/t14-,15-
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n/an/a 7.03E+3n/an/an/an/an/an/a



EPIZYME, INC.

US Patent


Assay Description
S-adenosylmethionine (SAM), S-adenosylhomocysteine (SAH), Tris, Tween20, dimethylsulfoxide (DMSO), bovine skin gelatin (BSG), and Tris(2-carboxyethyl...

US Patent US10106510 (2018)


BindingDB Entry DOI: 10.7270/Q22V2J5G
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase SMYD3


(Homo sapiens (Human))		BDBM293341
PNG
(5-cyclopropyl-N-((1r,4r)- 4-(3-(4-methylpiperazin-...)
Show SMILES CN1CCN(CCC(=O)N[C@H]2CC[C@@H](CC2)NC(=O)c2cc(on2)C2CC2)CC1 |r,wU:10.9,wD:13.16,(-11.4,-3.43,;-10.07,-2.66,;-10.07,-1.12,;-8.73,-.35,;-7.4,-1.12,;-6.07,-.35,;-4.73,-1.12,;-3.4,-.35,;-3.4,1.19,;-2.07,-1.12,;-.73,-.35,;-.73,1.19,;.6,1.96,;1.93,1.19,;1.93,-.35,;.6,-1.12,;3.27,1.96,;4.6,1.19,;4.6,-.35,;5.94,1.96,;7.18,1.06,;8.43,1.96,;7.95,3.43,;6.41,3.43,;9.91,1.56,;11,.48,;11.4,1.96,;-7.4,-2.66,;-8.73,-3.43,)|
Show InChI InChI=1S/C21H33N5O3/c1-25-10-12-26(13-11-25)9-8-20(27)22-16-4-6-17(7-5-16)23-21(28)18-14-19(29-24-18)15-2-3-15/h14-17H,2-13H2,1H3,(H,22,27)(H,23,28)/t16-,17-
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n/an/a 7.72E+3n/an/an/an/an/an/a



EPIZYME, INC.

US Patent


Assay Description
S-adenosylmethionine (SAM), S-adenosylhomocysteine (SAH), Tris, Tween20, dimethylsulfoxide (DMSO), bovine skin gelatin (BSG), and Tris(2-carboxyethyl...

US Patent US10106510 (2018)


BindingDB Entry DOI: 10.7270/Q22V2J5G
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase SMYD3


(Homo sapiens (Human))		BDBM293381
PNG
(N-((1R,4r)-4-((R)-3- aminobutanamido) cyclohexyl)-...)
Show SMILES C[C@@H](N)CC(=O)N[C@H]1CC[C@@H](CC1)N(Cc1ccccc1)C(=O)c1cc(on1)C1CC1 |r,wU:7.6,1.1,wD:10.13,(-9.4,-3.85,;-8.07,-3.08,;-8.07,-1.54,;-6.73,-3.85,;-5.4,-3.08,;-5.4,-1.54,;-4.07,-3.85,;-2.73,-3.08,;-2.73,-1.54,;-1.4,-.77,;-.07,-1.54,;-.07,-3.08,;-1.4,-3.85,;1.27,-.77,;1.27,.77,;-.07,1.54,;-.07,3.08,;-1.4,3.85,;-2.73,3.08,;-2.73,1.54,;-1.4,.77,;2.6,-1.54,;2.6,-3.08,;3.93,-.77,;5.18,-1.68,;6.43,-.77,;5.95,.69,;4.41,.69,;7.91,-1.17,;9,-2.26,;9.4,-.77,)|
Show InChI InChI=1S/C24H32N4O3/c1-16(25)13-23(29)26-19-9-11-20(12-10-19)28(15-17-5-3-2-4-6-17)24(30)21-14-22(31-27-21)18-7-8-18/h2-6,14,16,18-20H,7-13,15,25H2,1H3,(H,26,29)/t16-,19-,20-/m1/s1
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n/an/a 8.22E+3n/an/an/an/an/an/a



EPIZYME, INC.

US Patent


Assay Description
S-adenosylmethionine (SAM), S-adenosylhomocysteine (SAH), Tris, Tween20, dimethylsulfoxide (DMSO), bovine skin gelatin (BSG), and Tris(2-carboxyethyl...

US Patent US10106510 (2018)


BindingDB Entry DOI: 10.7270/Q22V2J5G
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase SMYD3


(Homo sapiens (Human))		BDBM293361
PNG
(5-cyclopropyl-N-((1r,4r)- 4-(isopentylamino) cyclo...)
Show SMILES CC(C)CCN[C@H]1CC[C@@H](CC1)NC(=O)c1cc(on1)C1CC1 |r,wU:6.5,wD:9.12,(9.4,-2.27,;8.07,-1.5,;8.07,.04,;6.73,-2.27,;5.4,-1.5,;4.07,-2.27,;2.73,-1.5,;1.4,-2.27,;.07,-1.5,;.07,.04,;1.4,.81,;2.73,.04,;-1.27,.81,;-2.6,.04,;-2.6,-1.5,;-3.93,.81,;-5.18,-.1,;-6.43,.81,;-5.95,2.27,;-4.41,2.27,;-7.91,.41,;-9.4,.81,;-9,-.68,)|
Show InChI InChI=1S/C18H29N3O2/c1-12(2)9-10-19-14-5-7-15(8-6-14)20-18(22)16-11-17(23-21-16)13-3-4-13/h11-15,19H,3-10H2,1-2H3,(H,20,22)/t14-,15-
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n/an/a 8.24E+3n/an/an/an/an/an/a



EPIZYME, INC.

US Patent


Assay Description
S-adenosylmethionine (SAM), S-adenosylhomocysteine (SAH), Tris, Tween20, dimethylsulfoxide (DMSO), bovine skin gelatin (BSG), and Tris(2-carboxyethyl...

US Patent US10106510 (2018)


BindingDB Entry DOI: 10.7270/Q22V2J5G
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase SMYD3


(Homo sapiens (Human))		BDBM293392
PNG
(N-((1R,4r)-4-((R)-3- aminobutanamido) cyclohexyl)-...)
Show SMILES C[C@@H](N)CC(=O)N[C@H]1CC[C@@H](CC1)N(C)C(=O)c1cc(on1)C1CC1 |r,wU:7.6,1.1,wD:10.13,(-9.4,-2.31,;-8.07,-1.54,;-8.07,,;-6.73,-2.31,;-5.4,-1.54,;-5.4,,;-4.07,-2.31,;-2.73,-1.54,;-2.73,,;-1.4,.77,;-.07,,;-.07,-1.54,;-1.4,-2.31,;1.27,.77,;1.27,2.31,;2.6,,;2.6,-1.54,;3.93,.77,;5.18,-.14,;6.43,.77,;5.95,2.23,;4.41,2.23,;7.91,.37,;9,-.72,;9.4,.77,)|
Show InChI InChI=1S/C18H28N4O3/c1-11(19)9-17(23)20-13-5-7-14(8-6-13)22(2)18(24)15-10-16(25-21-15)12-3-4-12/h10-14H,3-9,19H2,1-2H3,(H,20,23)/t11-,13-,14-/m1/s1
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n/an/a 9.28E+3n/an/an/an/an/an/a



EPIZYME, INC.

US Patent


Assay Description
S-adenosylmethionine (SAM), S-adenosylhomocysteine (SAH), Tris, Tween20, dimethylsulfoxide (DMSO), bovine skin gelatin (BSG), and Tris(2-carboxyethyl...

US Patent US10106510 (2018)


BindingDB Entry DOI: 10.7270/Q22V2J5G
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase SMYD3


(Homo sapiens (Human))		BDBM293376
PNG
(N-((1R,4r)-4-((R)-3- aminobutanamido) cyclohexyl)-...)
Show SMILES COCCN([C@H]1CC[C@@H](CC1)NC(=O)C[C@@H](C)N)C(=O)c1cc(on1)C1CC1 |r,wU:5.4,wD:8.11,15.17,(6.73,-3.08,;5.4,-3.85,;4.07,-3.08,;2.73,-3.85,;1.4,-3.08,;1.4,-1.54,;.07,-.77,;.07,.77,;1.4,1.54,;2.73,.77,;2.73,-.77,;1.4,3.08,;2.73,3.85,;2.73,5.39,;4.07,3.08,;5.4,3.85,;6.73,3.08,;5.4,5.39,;.07,-3.85,;.07,-5.39,;-1.27,-3.08,;-2.51,-3.99,;-3.76,-3.08,;-3.28,-1.62,;-1.74,-1.62,;-5.25,-3.48,;-6.73,-3.08,;-6.34,-4.57,)|
Show InChI InChI=1S/C20H32N4O4/c1-13(21)11-19(25)22-15-5-7-16(8-6-15)24(9-10-27-2)20(26)17-12-18(28-23-17)14-3-4-14/h12-16H,3-11,21H2,1-2H3,(H,22,25)/t13-,15-,16-/m1/s1
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n/an/a 9.69E+3n/an/an/an/an/an/a



EPIZYME, INC.

US Patent


Assay Description
S-adenosylmethionine (SAM), S-adenosylhomocysteine (SAH), Tris, Tween20, dimethylsulfoxide (DMSO), bovine skin gelatin (BSG), and Tris(2-carboxyethyl...

US Patent US10106510 (2018)


BindingDB Entry DOI: 10.7270/Q22V2J5G
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase SMYD3


(Homo sapiens (Human))		BDBM293378
PNG
(N-((1r,4r)-4-(3- aminopropanamido) cyclohexyl)-5- ...)
Show SMILES NCCC(=O)N[C@H]1CC[C@@H](CC1)N(CCc1ccccc1)C(=O)c1cc(on1)C1CC1 |r,wU:6.5,wD:9.12,(-8.73,-2.27,;-7.4,-1.5,;-6.07,-2.27,;-4.73,-1.5,;-4.73,.04,;-3.4,-2.27,;-2.07,-1.5,;-2.07,.04,;-.73,.81,;.6,.04,;.6,-1.5,;-.73,-2.27,;1.93,.81,;3.27,.04,;3.27,-1.5,;4.6,-2.27,;4.6,-3.81,;5.94,-4.58,;7.27,-3.81,;7.27,-2.27,;5.94,-1.5,;1.93,2.35,;.6,3.12,;3.27,3.12,;4.51,2.21,;5.76,3.12,;5.28,4.58,;3.74,4.58,;7.25,2.72,;8.34,1.63,;8.73,3.12,)|
Show InChI InChI=1S/C24H32N4O3/c25-14-12-23(29)26-19-8-10-20(11-9-19)28(15-13-17-4-2-1-3-5-17)24(30)21-16-22(31-27-21)18-6-7-18/h1-5,16,18-20H,6-15,25H2,(H,26,29)/t19-,20-
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n/an/a 1.08E+4n/an/an/an/an/an/a



EPIZYME, INC.

US Patent


Assay Description
S-adenosylmethionine (SAM), S-adenosylhomocysteine (SAH), Tris, Tween20, dimethylsulfoxide (DMSO), bovine skin gelatin (BSG), and Tris(2-carboxyethyl...

US Patent US10106510 (2018)


BindingDB Entry DOI: 10.7270/Q22V2J5G
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase SMYD3


(Homo sapiens (Human))		BDBM293390
PNG
(N-((1S,4r)-4-((S)-3- aminobutanamido) cyclohexyl)-...)
Show SMILES C[C@H](N)CC(=O)N[C@H]1CC[C@@H](CC1)N(CCc1ccccc1)C(=O)c1cc(on1)C1CC1 |r,wU:7.6,wD:10.13,1.1,(-8.73,-2.27,;-7.4,-1.5,;-7.4,.04,;-6.07,-2.27,;-4.73,-1.5,;-4.73,.04,;-3.4,-2.27,;-2.07,-1.5,;-2.07,.04,;-.73,.81,;.6,.04,;.6,-1.5,;-.73,-2.27,;1.93,.81,;3.27,.04,;3.27,-1.5,;4.6,-2.27,;4.6,-3.81,;5.94,-4.58,;7.27,-3.81,;7.27,-2.27,;5.94,-1.5,;1.93,2.35,;.6,3.12,;3.27,3.12,;4.51,2.21,;5.76,3.12,;5.28,4.58,;3.74,4.58,;7.25,2.72,;8.34,1.63,;8.73,3.12,)|
Show InChI InChI=1S/C25H34N4O3/c1-17(26)15-24(30)27-20-9-11-21(12-10-20)29(14-13-18-5-3-2-4-6-18)25(31)22-16-23(32-28-22)19-7-8-19/h2-6,16-17,19-21H,7-15,26H2,1H3,(H,27,30)/t17-,20-,21-/m0/s1
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n/an/a 1.16E+4n/an/an/an/an/an/a



EPIZYME, INC.

US Patent


Assay Description
S-adenosylmethionine (SAM), S-adenosylhomocysteine (SAH), Tris, Tween20, dimethylsulfoxide (DMSO), bovine skin gelatin (BSG), and Tris(2-carboxyethyl...

US Patent US10106510 (2018)


BindingDB Entry DOI: 10.7270/Q22V2J5G
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase SMYD3


(Homo sapiens (Human))		BDBM293387
PNG
(N-((1S,4r)-4-((S)-3- aminobutanamido) cyclohexyl)-...)
Show SMILES C[C@H](N)CC(=O)N[C@H]1CC[C@@H](CC1)N(CCO)C(=O)c1cc(on1)C1CC1 |r,wU:7.6,wD:10.13,1.1,(-8.73,-3.43,;-7.4,-2.66,;-7.4,-1.12,;-6.07,-3.43,;-4.73,-2.66,;-4.73,-1.12,;-3.4,-3.43,;-2.07,-2.66,;-2.07,-1.12,;-.73,-.35,;.6,-1.12,;.6,-2.66,;-.73,-3.43,;1.93,-.35,;3.27,-1.12,;3.27,-2.66,;4.6,-3.43,;1.93,1.19,;.6,1.96,;3.27,1.96,;4.51,1.06,;5.76,1.96,;5.28,3.43,;3.74,3.43,;7.25,1.56,;8.34,.48,;8.73,1.96,)|
Show InChI InChI=1S/C19H30N4O4/c1-12(20)10-18(25)21-14-4-6-15(7-5-14)23(8-9-24)19(26)16-11-17(27-22-16)13-2-3-13/h11-15,24H,2-10,20H2,1H3,(H,21,25)/t12-,14-,15-/m0/s1
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n/an/a 1.38E+4n/an/an/an/an/an/a



EPIZYME, INC.

US Patent


Assay Description
S-adenosylmethionine (SAM), S-adenosylhomocysteine (SAH), Tris, Tween20, dimethylsulfoxide (DMSO), bovine skin gelatin (BSG), and Tris(2-carboxyethyl...

US Patent US10106510 (2018)


BindingDB Entry DOI: 10.7270/Q22V2J5G
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase SMYD3


(Homo sapiens (Human))		BDBM293386
PNG
(N-((1R,4r)-4-((R)-3- aminobutanamido) cyclohexyl)-...)
Show SMILES C[C@@H](N)CC(=O)N[C@H]1CC[C@@H](CC1)N(CCO)C(=O)c1cc(on1)C1CC1 |r,wU:7.6,1.1,wD:10.13,(-8.73,-3.43,;-7.4,-2.66,;-7.4,-1.12,;-6.07,-3.43,;-4.73,-2.66,;-4.73,-1.12,;-3.4,-3.43,;-2.07,-2.66,;-2.07,-1.12,;-.73,-.35,;.6,-1.12,;.6,-2.66,;-.73,-3.43,;1.93,-.35,;3.27,-1.12,;3.27,-2.66,;4.6,-3.43,;1.93,1.19,;.6,1.96,;3.27,1.96,;4.51,1.06,;5.76,1.96,;5.28,3.43,;3.74,3.43,;7.25,1.56,;8.34,.48,;8.73,1.96,)|
Show InChI InChI=1S/C19H30N4O4/c1-12(20)10-18(25)21-14-4-6-15(7-5-14)23(8-9-24)19(26)16-11-17(27-22-16)13-2-3-13/h11-15,24H,2-10,20H2,1H3,(H,21,25)/t12-,14-,15-/m1/s1
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n/an/a 1.45E+4n/an/an/an/an/an/a



EPIZYME, INC.

US Patent


Assay Description
S-adenosylmethionine (SAM), S-adenosylhomocysteine (SAH), Tris, Tween20, dimethylsulfoxide (DMSO), bovine skin gelatin (BSG), and Tris(2-carboxyethyl...

US Patent US10106510 (2018)


BindingDB Entry DOI: 10.7270/Q22V2J5G
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase SMYD3


(Homo sapiens (Human))		BDBM293380
PNG
(N-((1r,4r)-4-(3- aminopropanamido) cyclohexyl)-5- ...)
Show SMILES COCCN([C@H]1CC[C@@H](CC1)NC(=O)CCN)C(=O)c1cc(on1)C1CC1 |r,wU:5.4,wD:8.11,(6.73,-3.08,;5.4,-3.85,;4.07,-3.08,;2.73,-3.85,;1.4,-3.08,;1.4,-1.54,;.07,-.77,;.07,.77,;1.4,1.54,;2.73,.77,;2.73,-.77,;1.4,3.08,;2.73,3.85,;2.73,5.39,;4.07,3.08,;5.4,3.85,;6.73,3.08,;.07,-3.85,;.07,-5.39,;-1.27,-3.08,;-2.51,-3.99,;-3.76,-3.08,;-3.28,-1.62,;-1.74,-1.62,;-5.25,-3.48,;-6.73,-3.08,;-6.34,-4.57,)|
Show InChI InChI=1S/C19H30N4O4/c1-26-11-10-23(19(25)16-12-17(27-22-16)13-2-3-13)15-6-4-14(5-7-15)21-18(24)8-9-20/h12-15H,2-11,20H2,1H3,(H,21,24)/t14-,15-
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n/an/a 1.64E+4n/an/an/an/an/an/a



EPIZYME, INC.

US Patent


Assay Description
S-adenosylmethionine (SAM), S-adenosylhomocysteine (SAH), Tris, Tween20, dimethylsulfoxide (DMSO), bovine skin gelatin (BSG), and Tris(2-carboxyethyl...

US Patent US10106510 (2018)


BindingDB Entry DOI: 10.7270/Q22V2J5G
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase SMYD3


(Homo sapiens (Human))		BDBM293388
PNG
(N-((1r,4r)-4-(3- aminopropanamido) cyclohexyl)-5- ...)
Show SMILES NCCC(=O)N[C@H]1CC[C@@H](CC1)N(CCO)C(=O)c1cc(on1)C1CC1 |r,wU:6.5,wD:9.12,(-8.73,-3.43,;-7.4,-2.66,;-6.07,-3.43,;-4.73,-2.66,;-4.73,-1.12,;-3.4,-3.43,;-2.07,-2.66,;-2.07,-1.12,;-.73,-.35,;.6,-1.12,;.6,-2.66,;-.73,-3.43,;1.93,-.35,;3.27,-1.12,;3.27,-2.66,;4.6,-3.43,;1.93,1.19,;.6,1.96,;3.27,1.96,;4.51,1.06,;5.76,1.96,;5.28,3.43,;3.74,3.43,;7.25,1.56,;8.34,.48,;8.73,1.96,)|
Show InChI InChI=1S/C18H28N4O4/c19-8-7-17(24)20-13-3-5-14(6-4-13)22(9-10-23)18(25)15-11-16(26-21-15)12-1-2-12/h11-14,23H,1-10,19H2,(H,20,24)/t13-,14-
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n/an/a 1.68E+4n/an/an/an/an/an/a



EPIZYME, INC.

US Patent


Assay Description
S-adenosylmethionine (SAM), S-adenosylhomocysteine (SAH), Tris, Tween20, dimethylsulfoxide (DMSO), bovine skin gelatin (BSG), and Tris(2-carboxyethyl...

US Patent US10106510 (2018)


BindingDB Entry DOI: 10.7270/Q22V2J5G
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase SMYD3


(Homo sapiens (Human))		BDBM293385
PNG
(N-((1S,4r)-4-((S)-3- aminobutanamido) cyclohexyl)-...)
Show SMILES COCCN([C@H]1CC[C@@H](CC1)NC(=O)C[C@H](C)N)C(=O)c1cc(on1)C1CC1 |r,wU:5.4,15.17,wD:8.11,(6.73,-3.08,;5.4,-3.85,;4.07,-3.08,;2.73,-3.85,;1.4,-3.08,;1.4,-1.54,;.07,-.77,;.07,.77,;1.4,1.54,;2.73,.77,;2.73,-.77,;1.4,3.08,;2.73,3.85,;2.73,5.39,;4.07,3.08,;5.4,3.85,;6.73,3.08,;5.4,5.39,;.07,-3.85,;.07,-5.39,;-1.27,-3.08,;-2.51,-3.99,;-3.76,-3.08,;-3.28,-1.62,;-1.74,-1.62,;-5.25,-3.48,;-6.73,-3.08,;-6.34,-4.57,)|
Show InChI InChI=1S/C20H32N4O4/c1-13(21)11-19(25)22-15-5-7-16(8-6-15)24(9-10-27-2)20(26)17-12-18(28-23-17)14-3-4-14/h12-16H,3-11,21H2,1-2H3,(H,22,25)/t13-,15-,16-/m0/s1
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n/an/a 1.90E+4n/an/an/an/an/an/a



EPIZYME, INC.

US Patent


Assay Description
S-adenosylmethionine (SAM), S-adenosylhomocysteine (SAH), Tris, Tween20, dimethylsulfoxide (DMSO), bovine skin gelatin (BSG), and Tris(2-carboxyethyl...

US Patent US10106510 (2018)


BindingDB Entry DOI: 10.7270/Q22V2J5G
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase SMYD3


(Homo sapiens (Human))		BDBM293389
PNG
(N-((1S,4r)-4-((S)-3- aminobutanamido) cyclohexyl)-...)
Show SMILES C[C@H](N)CC(=O)N[C@H]1CC[C@@H](CC1)N(Cc1ccccc1)C(=O)c1cc(on1)C1CC1 |r,wU:7.6,wD:10.13,1.1,(-9.4,-3.85,;-8.07,-3.08,;-8.07,-1.54,;-6.73,-3.85,;-5.4,-3.08,;-5.4,-1.54,;-4.07,-3.85,;-2.73,-3.08,;-2.73,-1.54,;-1.4,-.77,;-.07,-1.54,;-.07,-3.08,;-1.4,-3.85,;1.27,-.77,;1.27,.77,;-.07,1.54,;-.07,3.08,;-1.4,3.85,;-2.73,3.08,;-2.73,1.54,;-1.4,.77,;2.6,-1.54,;2.6,-3.08,;3.93,-.77,;5.18,-1.68,;6.43,-.77,;5.95,.69,;4.41,.69,;7.91,-1.17,;9,-2.26,;9.4,-.77,)|
Show InChI InChI=1S/C24H32N4O3/c1-16(25)13-23(29)26-19-9-11-20(12-10-19)28(15-17-5-3-2-4-6-17)24(30)21-14-22(31-27-21)18-7-8-18/h2-6,14,16,18-20H,7-13,15,25H2,1H3,(H,26,29)/t16-,19-,20-/m0/s1
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EPIZYME, INC.

US Patent


Assay Description
S-adenosylmethionine (SAM), S-adenosylhomocysteine (SAH), Tris, Tween20, dimethylsulfoxide (DMSO), bovine skin gelatin (BSG), and Tris(2-carboxyethyl...

US Patent US10106510 (2018)


BindingDB Entry DOI: 10.7270/Q22V2J5G
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase SMYD3


(Homo sapiens (Human))		BDBM293347
PNG
(5-cyclopropyl-N- ((1r,4r)-4-(3-morpholino- propana...)
Show SMILES O=C(CCN1CCOCC1)N[C@H]1CC[C@@H](CC1)NC(=O)c1cc(on1)C1CC1 |r,wU:11.11,wD:14.18,(4.07,-1.19,;4.07,.35,;5.4,1.12,;6.73,.35,;8.07,1.12,;9.4,.35,;10.74,1.12,;10.74,2.66,;9.4,3.43,;8.07,2.66,;2.73,1.12,;1.4,.35,;1.4,-1.19,;.07,-1.96,;-1.27,-1.19,;-1.27,.35,;.07,1.12,;-2.6,-1.96,;-3.93,-1.19,;-3.93,.35,;-5.27,-1.96,;-6.51,-1.06,;-7.76,-1.96,;-7.28,-3.43,;-5.74,-3.43,;-9.25,-1.56,;-10.34,-.48,;-10.74,-1.96,)|
Show InChI InChI=1S/C20H30N4O4/c25-19(7-8-24-9-11-27-12-10-24)21-15-3-5-16(6-4-15)22-20(26)17-13-18(28-23-17)14-1-2-14/h13-16H,1-12H2,(H,21,25)(H,22,26)/t15-,16-
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n/an/a 2.04E+4n/an/an/an/an/an/a



EPIZYME, INC.

US Patent


Assay Description
S-adenosylmethionine (SAM), S-adenosylhomocysteine (SAH), Tris, Tween20, dimethylsulfoxide (DMSO), bovine skin gelatin (BSG), and Tris(2-carboxyethyl...

US Patent US10106510 (2018)


BindingDB Entry DOI: 10.7270/Q22V2J5G
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase SMYD3


(Homo sapiens (Human))		BDBM293391
PNG
(N-((1S,4s)-4-((R)-3- aminobutanamido) cyclohexyl)-...)
Show SMILES C[C@@H](N)CC(=O)N[C@H]1CC[C@H](CC1)N(C)C(=O)c1cc(on1)C1CC1 |r,wU:7.6,10.13,1.1,(-9.4,-2.31,;-8.07,-1.54,;-8.07,,;-6.73,-2.31,;-5.4,-1.54,;-5.4,,;-4.07,-2.31,;-2.73,-1.54,;-2.73,,;-1.4,.77,;-.07,,;-.07,-1.54,;-1.4,-2.31,;1.27,.77,;1.27,2.31,;2.6,,;2.6,-1.54,;3.93,.77,;5.18,-.14,;6.43,.77,;5.95,2.23,;4.41,2.23,;7.91,.37,;9,-.72,;9.4,.77,)|
Show InChI InChI=1S/C18H28N4O3/c1-11(19)9-17(23)20-13-5-7-14(8-6-13)22(2)18(24)15-10-16(25-21-15)12-3-4-12/h10-14H,3-9,19H2,1-2H3,(H,20,23)/t11-,13-,14+/m1/s1
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n/an/a 2.44E+4n/an/an/an/an/an/a



EPIZYME, INC.

US Patent


Assay Description
S-adenosylmethionine (SAM), S-adenosylhomocysteine (SAH), Tris, Tween20, dimethylsulfoxide (DMSO), bovine skin gelatin (BSG), and Tris(2-carboxyethyl...

US Patent US10106510 (2018)


BindingDB Entry DOI: 10.7270/Q22V2J5G
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase SMYD3


(Homo sapiens (Human))		BDBM293393
PNG
(N-((1R,4s)-4-((S)-3- aminobutanamido) cyclohexyl)-...)
Show SMILES C[C@H](N)CC(=O)N[C@H]1CC[C@H](CC1)N(C)C(=O)c1cc(on1)C1CC1 |r,wU:7.6,10.13,wD:1.1,(-9.4,-2.31,;-8.07,-1.54,;-8.07,,;-6.73,-2.31,;-5.4,-1.54,;-5.4,,;-4.07,-2.31,;-2.73,-1.54,;-2.73,,;-1.4,.77,;-.07,,;-.07,-1.54,;-1.4,-2.31,;1.27,.77,;1.27,2.31,;2.6,,;2.6,-1.54,;3.93,.77,;5.18,-.14,;6.43,.77,;5.95,2.23,;4.41,2.23,;7.91,.37,;9,-.72,;9.4,.77,)|
Show InChI InChI=1S/C18H28N4O3/c1-11(19)9-17(23)20-13-5-7-14(8-6-13)22(2)18(24)15-10-16(25-21-15)12-3-4-12/h10-14H,3-9,19H2,1-2H3,(H,20,23)/t11-,13-,14+/m0/s1
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n/an/a 2.58E+4n/an/an/an/an/an/a



EPIZYME, INC.

US Patent


Assay Description
S-adenosylmethionine (SAM), S-adenosylhomocysteine (SAH), Tris, Tween20, dimethylsulfoxide (DMSO), bovine skin gelatin (BSG), and Tris(2-carboxyethyl...

US Patent US10106510 (2018)


BindingDB Entry DOI: 10.7270/Q22V2J5G
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase SMYD3


(Homo sapiens (Human))		BDBM293395
PNG
(N-((1s,4s)-4-(3- aminopropanamido) cyclohexyl)-5- ...)
Show SMILES CN([C@@H]1CC[C@@H](CC1)NC(=O)CCN)C(=O)c1cc(on1)C1CC1 |r,wD:5.8,2.1,(1.27,2.31,;1.27,.77,;-.07,,;-.07,-1.54,;-1.4,-2.31,;-2.73,-1.54,;-2.73,,;-1.4,.77,;-4.07,-2.31,;-5.4,-1.54,;-5.4,,;-6.73,-2.31,;-8.07,-1.54,;-9.4,-2.31,;2.6,,;2.6,-1.54,;3.93,.77,;5.18,-.14,;6.43,.77,;5.95,2.23,;4.41,2.23,;7.91,.37,;9,-.72,;9.4,.77,)|
Show InChI InChI=1S/C17H26N4O3/c1-21(17(23)14-10-15(24-20-14)11-2-3-11)13-6-4-12(5-7-13)19-16(22)8-9-18/h10-13H,2-9,18H2,1H3,(H,19,22)/t12-,13+
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n/an/a 3.66E+4n/an/an/an/an/an/a



EPIZYME, INC.

US Patent


Assay Description
S-adenosylmethionine (SAM), S-adenosylhomocysteine (SAH), Tris, Tween20, dimethylsulfoxide (DMSO), bovine skin gelatin (BSG), and Tris(2-carboxyethyl...

US Patent US10106510 (2018)


BindingDB Entry DOI: 10.7270/Q22V2J5G
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%