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Compile Data Set for Download or QSAR

Found 30 hits Enz. Inhib. hit(s) with all data for entry = 1649   
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
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))		BDBM297745
PNG
(US10118918, Compound 24 | US9732072, Compound 24)
Show SMILES O[C@H](CNC(=O)c1cccc(NC2CCOCC2)c1)CN1Cc2ccccc2C1 |r|
Show InChI InChI=1S/C23H29N3O3/c27-22(16-26-14-18-4-1-2-5-19(18)15-26)13-24-23(28)17-6-3-7-21(12-17)25-20-8-10-29-11-9-20/h1-7,12,20,22,25,27H,8-11,13-16H2,(H,24,28)/t22-/m1/s1
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n/an/a<100n/an/an/an/an/an/a



Epizyme, Inc.

US Patent


Assay Description
General Materials.S-adenosylmethionine (SAM), S-adenosylhomocysteine (SAH), bicine, KCl, Tween20, dimethylsulfoxide (DMSO), bovine skin gelatin (BSG)...

US Patent US9732072 (2017)


BindingDB Entry DOI: 10.7270/Q2FF3VGW
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))		BDBM297751
PNG
(US10118918, Compound 30 | US9732072, Compound 30)
Show SMILES O[C@@H](CNC(=O)c1ccnc(NC2CCOCC2)c1)CN1Cc2ccccc2C1 |r|
Show InChI InChI=1S/C22H28N4O3/c27-20(15-26-13-17-3-1-2-4-18(17)14-26)12-24-22(28)16-5-8-23-21(11-16)25-19-6-9-29-10-7-19/h1-5,8,11,19-20,27H,6-7,9-10,12-15H2,(H,23,25)(H,24,28)/t20-/m0/s1
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Epizyme, Inc.

US Patent


Assay Description
General Materials.S-adenosylmethionine (SAM), S-adenosylhomocysteine (SAH), bicine, KCl, Tween20, dimethylsulfoxide (DMSO), bovine skin gelatin (BSG)...

US Patent US9732072 (2017)


BindingDB Entry DOI: 10.7270/Q2FF3VGW
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))		BDBM297726
PNG
((R)No FitNNo Fit((S)-2-hydroxy-3-(isoindolin-2-yl)...)
Show SMILES C[C@@H](Oc1cccc2cccnc12)C(=O)NC[C@H](O)CN1Cc2ccccc2C1 |r|
Show InChI InChI=1S/C23H25N3O3/c1-16(29-21-10-4-8-17-9-5-11-24-22(17)21)23(28)25-12-20(27)15-26-13-18-6-2-3-7-19(18)14-26/h2-11,16,20,27H,12-15H2,1H3,(H,25,28)/t16-,20+/m1/s1
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n/an/a<100n/an/an/an/an/an/a



Epizyme, Inc.

US Patent


Assay Description
General Materials.S-adenosylmethionine (SAM), S-adenosylhomocysteine (SAH), bicine, KCl, Tween20, dimethylsulfoxide (DMSO), bovine skin gelatin (BSG)...

US Patent US9732072 (2017)


BindingDB Entry DOI: 10.7270/Q2FF3VGW
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))		BDBM297725
PNG
((S)No FitN-(2-hydroxy-3-(isoindolin-2-yl)propyl)-2...)
Show SMILES O[C@@H](CNC(=O)COc1cccc2cccnc12)CN1Cc2ccccc2C1 |r|
Show InChI InChI=1S/C22H23N3O3/c26-19(14-25-12-17-5-1-2-6-18(17)13-25)11-24-21(27)15-28-20-9-3-7-16-8-4-10-23-22(16)20/h1-10,19,26H,11-15H2,(H,24,27)/t19-/m0/s1
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Epizyme, Inc.

US Patent


Assay Description
General Materials.S-adenosylmethionine (SAM), S-adenosylhomocysteine (SAH), bicine, KCl, Tween20, dimethylsulfoxide (DMSO), bovine skin gelatin (BSG)...

US Patent US9732072 (2017)


BindingDB Entry DOI: 10.7270/Q2FF3VGW
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))		BDBM297736
PNG
(2-(2-(N,N-dimethylsulfamoyl)phenoxy)-N-(2-hydroxy-...)
Show SMILES CN(C)S(=O)(=O)c1ccccc1OCC(=O)NCC(O)CN1Cc2ccccc2C1
Show InChI InChI=1S/C21H27N3O5S/c1-23(2)30(27,28)20-10-6-5-9-19(20)29-15-21(26)22-11-18(25)14-24-12-16-7-3-4-8-17(16)13-24/h3-10,18,25H,11-15H2,1-2H3,(H,22,26)
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Epizyme, Inc.

US Patent


Assay Description
General Materials.S-adenosylmethionine (SAM), S-adenosylhomocysteine (SAH), bicine, KCl, Tween20, dimethylsulfoxide (DMSO), bovine skin gelatin (BSG)...

US Patent US9732072 (2017)


BindingDB Entry DOI: 10.7270/Q2FF3VGW
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))		BDBM297750
PNG
(US10118918, Compound 29 | US9732072, Compound 29)
Show SMILES O[C@@H](CNC(=O)c1cc(NC2CCOCC2)ncn1)CN1Cc2ccccc2C1 |r|
Show InChI InChI=1S/C21H27N5O3/c27-18(13-26-11-15-3-1-2-4-16(15)12-26)10-22-21(28)19-9-20(24-14-23-19)25-17-5-7-29-8-6-17/h1-4,9,14,17-18,27H,5-8,10-13H2,(H,22,28)(H,23,24,25)/t18-/m0/s1
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n/an/a<100n/an/an/an/an/an/a



Epizyme, Inc.

US Patent


Assay Description
General Materials.S-adenosylmethionine (SAM), S-adenosylhomocysteine (SAH), bicine, KCl, Tween20, dimethylsulfoxide (DMSO), bovine skin gelatin (BSG)...

US Patent US9732072 (2017)


BindingDB Entry DOI: 10.7270/Q2FF3VGW
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))		BDBM297749
PNG
(US10118918, Compound 28 | US9732072, Compound 28)
Show SMILES O[C@@H](CNC(=O)c1cccc(NC2CCOCC2)c1)CN1Cc2ccccc2C1 |r|
Show InChI InChI=1S/C23H29N3O3/c27-22(16-26-14-18-4-1-2-5-19(18)15-26)13-24-23(28)17-6-3-7-21(12-17)25-20-8-10-29-11-9-20/h1-7,12,20,22,25,27H,8-11,13-16H2,(H,24,28)/t22-/m0/s1
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n/an/a<100n/an/an/an/an/an/a



Epizyme, Inc.

US Patent


Assay Description
General Materials.S-adenosylmethionine (SAM), S-adenosylhomocysteine (SAH), bicine, KCl, Tween20, dimethylsulfoxide (DMSO), bovine skin gelatin (BSG)...

US Patent US9732072 (2017)


BindingDB Entry DOI: 10.7270/Q2FF3VGW
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))		BDBM297744
PNG
(US10118918, Compound 23 | US9732072, Compound 23)
Show SMILES CN(C)S(=O)(=O)c1ccccc1OCC(=O)NC[C@H](O)CN1Cc2ccccc2C1 |r|
Show InChI InChI=1S/C21H27N3O5S/c1-23(2)30(27,28)20-10-6-5-9-19(20)29-15-21(26)22-11-18(25)14-24-12-16-7-3-4-8-17(16)13-24/h3-10,18,25H,11-15H2,1-2H3,(H,22,26)/t18-/m0/s1
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Epizyme, Inc.

US Patent


Assay Description
General Materials.S-adenosylmethionine (SAM), S-adenosylhomocysteine (SAH), bicine, KCl, Tween20, dimethylsulfoxide (DMSO), bovine skin gelatin (BSG)...

US Patent US9732072 (2017)


BindingDB Entry DOI: 10.7270/Q2FF3VGW
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))		BDBM297733
PNG
(N-(2-hydroxy-3-(isoindolin-2-yl)propyl)-2-(2-(meth...)
Show SMILES CS(=O)(=O)c1ccccc1OCC(=O)NCC(O)CN1Cc2ccccc2C1
Show InChI InChI=1S/C20H24N2O5S/c1-28(25,26)19-9-5-4-8-18(19)27-14-20(24)21-10-17(23)13-22-11-15-6-2-3-7-16(15)12-22/h2-9,17,23H,10-14H2,1H3,(H,21,24)
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n/an/a 550n/an/an/an/an/an/a



Epizyme, Inc.

US Patent


Assay Description
General Materials.S-adenosylmethionine (SAM), S-adenosylhomocysteine (SAH), bicine, KCl, Tween20, dimethylsulfoxide (DMSO), bovine skin gelatin (BSG)...

US Patent US9732072 (2017)


BindingDB Entry DOI: 10.7270/Q2FF3VGW
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))		BDBM297740
PNG
(N-(2-hydroxy-3-(isoindolin-2-yl)propyl)-2-(quinoli...)
Show SMILES OC(CNC(=O)COc1cccc2cccnc12)CN1Cc2ccccc2C1
Show InChI InChI=1S/C22H23N3O3/c26-19(14-25-12-17-5-1-2-6-18(17)13-25)11-24-21(27)15-28-20-9-3-7-16-8-4-10-23-22(16)20/h1-10,19,26H,11-15H2,(H,24,27)
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n/an/a 550n/an/an/an/an/an/a



Epizyme, Inc.

US Patent


Assay Description
General Materials.S-adenosylmethionine (SAM), S-adenosylhomocysteine (SAH), bicine, KCl, Tween20, dimethylsulfoxide (DMSO), bovine skin gelatin (BSG)...

US Patent US9732072 (2017)


BindingDB Entry DOI: 10.7270/Q2FF3VGW
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))		BDBM297732
PNG
(US10118918, Compound 11 | US9732072, Compound 11 |...)
Show SMILES CC(C)(C)OC(=O)Nc1cccc(c1)C(=O)NCC(O)CN1Cc2ccccc2C1
Show InChI InChI=1S/C23H29N3O4/c1-23(2,3)30-22(29)25-19-10-6-9-16(11-19)21(28)24-12-20(27)15-26-13-17-7-4-5-8-18(17)14-26/h4-11,20,27H,12-15H2,1-3H3,(H,24,28)(H,25,29)
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n/an/a 550n/an/an/an/an/an/a



Epizyme, Inc.

US Patent


Assay Description
General Materials.S-adenosylmethionine (SAM), S-adenosylhomocysteine (SAH), bicine, KCl, Tween20, dimethylsulfoxide (DMSO), bovine skin gelatin (BSG)...

US Patent US9732072 (2017)


BindingDB Entry DOI: 10.7270/Q2FF3VGW
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))		BDBM297727
PNG
(N-(2-hydroxy-3-(isoindolin-2-yl)propyl)-3-((tetrah...)
Show SMILES C[C@H](Oc1cccc2cccnc12)C(=O)NC[C@@H](O)CN1Cc2ccccc2C1 |r|
Show InChI InChI=1S/C23H25N3O3/c1-16(29-21-10-4-8-17-9-5-11-24-22(17)21)23(28)25-12-20(27)15-26-13-18-6-2-3-7-19(18)14-26/h2-11,16,20,27H,12-15H2,1H3,(H,25,28)/t16-,20+/m0/s1
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n/an/a 550n/an/an/an/an/an/a



Epizyme, Inc.

US Patent


Assay Description
General Materials.S-adenosylmethionine (SAM), S-adenosylhomocysteine (SAH), bicine, KCl, Tween20, dimethylsulfoxide (DMSO), bovine skin gelatin (BSG)...

US Patent US9732072 (2017)


BindingDB Entry DOI: 10.7270/Q2FF3VGW
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))		BDBM297734
PNG
(N-(2-hydroxy-3-(isoindolin-2-yl)propyl)-3-(pyridin...)
Show SMILES OC(CNC(=O)c1cccc(c1)-c1ccccn1)CN1Cc2ccccc2C1
Show InChI InChI=1S/C23H23N3O2/c27-21(16-26-14-19-6-1-2-7-20(19)15-26)13-25-23(28)18-9-5-8-17(12-18)22-10-3-4-11-24-22/h1-12,21,27H,13-16H2,(H,25,28)
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n/an/a 550n/an/an/an/an/an/a



Epizyme, Inc.

US Patent


Assay Description
General Materials.S-adenosylmethionine (SAM), S-adenosylhomocysteine (SAH), bicine, KCl, Tween20, dimethylsulfoxide (DMSO), bovine skin gelatin (BSG)...

US Patent US9732072 (2017)


BindingDB Entry DOI: 10.7270/Q2FF3VGW
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))		BDBM297729
PNG
(2-(2-(1H-pyrazol-3-yl)phenoxy)-N-(2-hydroxy-3-(iso...)
Show SMILES OC(CNC(=O)c1cccc(NC2CCOCC2)c1)CN1Cc2ccccc2C1
Show InChI InChI=1S/C23H29N3O3/c27-22(16-26-14-18-4-1-2-5-19(18)15-26)13-24-23(28)17-6-3-7-21(12-17)25-20-8-10-29-11-9-20/h1-7,12,20,22,25,27H,8-11,13-16H2,(H,24,28)
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Epizyme, Inc.

US Patent


Assay Description
General Materials.S-adenosylmethionine (SAM), S-adenosylhomocysteine (SAH), bicine, KCl, Tween20, dimethylsulfoxide (DMSO), bovine skin gelatin (BSG)...

US Patent US9732072 (2017)


BindingDB Entry DOI: 10.7270/Q2FF3VGW
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))		BDBM297742
PNG
(US10118918, Compound 21 | US9732072, Compound 21)
Show SMILES CN(C)S(=O)(=O)c1ccccc1OCC(=O)NC[C@@H](O)CN1Cc2ccccc2C1 |r|
Show InChI InChI=1S/C21H27N3O5S/c1-23(2)30(27,28)20-10-6-5-9-19(20)29-15-21(26)22-11-18(25)14-24-12-16-7-3-4-8-17(16)13-24/h3-10,18,25H,11-15H2,1-2H3,(H,22,26)/t18-/m1/s1
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Epizyme, Inc.

US Patent


Assay Description
General Materials.S-adenosylmethionine (SAM), S-adenosylhomocysteine (SAH), bicine, KCl, Tween20, dimethylsulfoxide (DMSO), bovine skin gelatin (BSG)...

US Patent US9732072 (2017)


BindingDB Entry DOI: 10.7270/Q2FF3VGW
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))		BDBM297743
PNG
(US10118918, Compound 22 | US9732072, Compound 22)
Show SMILES CN1CCOc2cccc(OCC(=O)NC[C@@H](O)CN3Cc4ccccc4C3)c12 |r|
Show InChI InChI=1S/C22H27N3O4/c1-24-9-10-28-19-7-4-8-20(22(19)24)29-15-21(27)23-11-18(26)14-25-12-16-5-2-3-6-17(16)13-25/h2-8,18,26H,9-15H2,1H3,(H,23,27)/t18-/m1/s1
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Epizyme, Inc.

US Patent


Assay Description
General Materials.S-adenosylmethionine (SAM), S-adenosylhomocysteine (SAH), bicine, KCl, Tween20, dimethylsulfoxide (DMSO), bovine skin gelatin (BSG)...

US Patent US9732072 (2017)


BindingDB Entry DOI: 10.7270/Q2FF3VGW
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))		BDBM297728
PNG
(US10118918, Compound 7 | US9732072, Compound 7)
Show SMILES OC(CNC(=O)COc1ccccc1-c1cc[nH]n1)CN1Cc2ccccc2C1
Show InChI InChI=1S/C22H24N4O3/c27-18(14-26-12-16-5-1-2-6-17(16)13-26)11-23-22(28)15-29-21-8-4-3-7-19(21)20-9-10-24-25-20/h1-10,18,27H,11-15H2,(H,23,28)(H,24,25)
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Epizyme, Inc.

US Patent


Assay Description
General Materials.S-adenosylmethionine (SAM), S-adenosylhomocysteine (SAH), bicine, KCl, Tween20, dimethylsulfoxide (DMSO), bovine skin gelatin (BSG)...

US Patent US9732072 (2017)


BindingDB Entry DOI: 10.7270/Q2FF3VGW
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))		BDBM297748
PNG
(US10118918, Compound 27 | US9732072, Compound 27)
Show SMILES Cn1ncc2ccc(OCC(=O)NC[C@H](O)CN3Cc4ccccc4C3)cc12 |r|
Show InChI InChI=1S/C21H24N4O3/c1-24-20-8-19(7-6-15(20)9-23-24)28-14-21(27)22-10-18(26)13-25-11-16-4-2-3-5-17(16)12-25/h2-9,18,26H,10-14H2,1H3,(H,22,27)/t18-/m0/s1
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Epizyme, Inc.

US Patent


Assay Description
General Materials.S-adenosylmethionine (SAM), S-adenosylhomocysteine (SAH), bicine, KCl, Tween20, dimethylsulfoxide (DMSO), bovine skin gelatin (BSG)...

US Patent US9732072 (2017)


BindingDB Entry DOI: 10.7270/Q2FF3VGW
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))		BDBM297747
PNG
(US10118918, Compound 26 | US9732072, Compound 26)
Show SMILES CN1CCOc2cccc(OCC(=O)NC[C@H](O)CN3Cc4ccccc4C3)c12 |r|
Show InChI InChI=1S/C22H27N3O4/c1-24-9-10-28-19-7-4-8-20(22(19)24)29-15-21(27)23-11-18(26)14-25-12-16-5-2-3-6-17(16)13-25/h2-8,18,26H,9-15H2,1H3,(H,23,27)/t18-/m0/s1
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n/an/a 550n/an/an/an/an/an/a



Epizyme, Inc.

US Patent


Assay Description
General Materials.S-adenosylmethionine (SAM), S-adenosylhomocysteine (SAH), bicine, KCl, Tween20, dimethylsulfoxide (DMSO), bovine skin gelatin (BSG)...

US Patent US9732072 (2017)


BindingDB Entry DOI: 10.7270/Q2FF3VGW
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))		BDBM297741
PNG
(1-(3-((cyclopentylamino)methyl)phenoxy)-3-(isoindo...)
Show SMILES OC(COc1cccc(CNC2CCCC2)c1)CN1Cc2ccccc2C1
Show InChI InChI=1S/C23H30N2O2/c26-22(16-25-14-19-7-1-2-8-20(19)15-25)17-27-23-11-5-6-18(12-23)13-24-21-9-3-4-10-21/h1-2,5-8,11-12,21-22,24,26H,3-4,9-10,13-17H2
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n/an/a 5.50E+3n/an/an/an/an/an/a



Epizyme, Inc.

US Patent


Assay Description
General Materials.S-adenosylmethionine (SAM), S-adenosylhomocysteine (SAH), bicine, KCl, Tween20, dimethylsulfoxide (DMSO), bovine skin gelatin (BSG)...

US Patent US9732072 (2017)


BindingDB Entry DOI: 10.7270/Q2FF3VGW
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))		BDBM297739
PNG
(US10118918, Compound 18 | US9732072, Compound 18)
Show SMILES COc1ccc(Cn2cnc3ccc(cc23)-c2ccc(OCC(O)CN3Cc4ccccc4C3)cc2)cc1
Show InChI InChI=1S/C32H31N3O3/c1-37-29-11-6-23(7-12-29)17-35-22-33-31-15-10-25(16-32(31)35)24-8-13-30(14-9-24)38-21-28(36)20-34-18-26-4-2-3-5-27(26)19-34/h2-16,22,28,36H,17-21H2,1H3
PDB

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US Patent
n/an/a 5.50E+3n/an/an/an/an/an/a



Epizyme, Inc.

US Patent


Assay Description
General Materials.S-adenosylmethionine (SAM), S-adenosylhomocysteine (SAH), bicine, KCl, Tween20, dimethylsulfoxide (DMSO), bovine skin gelatin (BSG)...

US Patent US9732072 (2017)


BindingDB Entry DOI: 10.7270/Q2FF3VGW
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))		BDBM297738
PNG
((R)-1-(isoindolin-2-yl)-3-(3-(1-methyl-1H-benzo[d]...)
Show SMILES Cn1cnc2ccc(cc12)-c1cccc(OC[C@H](O)CN2Cc3ccccc3C2)c1 |r|
Show InChI InChI=1S/C25H25N3O2/c1-27-17-26-24-10-9-19(12-25(24)27)18-7-4-8-23(11-18)30-16-22(29)15-28-13-20-5-2-3-6-21(20)14-28/h2-12,17,22,29H,13-16H2,1H3/t22-/m1/s1
PDB

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n/an/a 5.50E+3n/an/an/an/an/an/a



Epizyme, Inc.

US Patent


Assay Description
General Materials.S-adenosylmethionine (SAM), S-adenosylhomocysteine (SAH), bicine, KCl, Tween20, dimethylsulfoxide (DMSO), bovine skin gelatin (BSG)...

US Patent US9732072 (2017)


BindingDB Entry DOI: 10.7270/Q2FF3VGW
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))		BDBM297737
PNG
((R)No FitN-(2-hydroxy-3-(isoindolin-2-yl)propyl)-2...)
Show SMILES O[C@H](CNC(=O)COc1cccc2cccnc12)CN1Cc2ccccc2C1 |r|
Show InChI InChI=1S/C22H23N3O3/c26-19(14-25-12-17-5-1-2-6-18(17)13-25)11-24-21(27)15-28-20-9-3-7-16-8-4-10-23-22(16)20/h1-10,19,26H,11-15H2,(H,24,27)/t19-/m1/s1
PDB

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n/an/a 5.50E+3n/an/an/an/an/an/a



Epizyme, Inc.

US Patent


Assay Description
General Materials.S-adenosylmethionine (SAM), S-adenosylhomocysteine (SAH), bicine, KCl, Tween20, dimethylsulfoxide (DMSO), bovine skin gelatin (BSG)...

US Patent US9732072 (2017)


BindingDB Entry DOI: 10.7270/Q2FF3VGW
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))		BDBM297730
PNG
(1-(isoindolin-2-yl)-3-(3-(1-methyl-1H-benzo[d]imid...)
Show SMILES Cn1cnc2ccc(cc12)-c1cccc(OCC(O)CN2Cc3ccccc3C2)c1
Show InChI InChI=1S/C25H25N3O2/c1-27-17-26-24-10-9-19(12-25(24)27)18-7-4-8-23(11-18)30-16-22(29)15-28-13-20-5-2-3-6-21(20)14-28/h2-12,17,22,29H,13-16H2,1H3
PDB

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Epizyme, Inc.

US Patent


Assay Description
General Materials.S-adenosylmethionine (SAM), S-adenosylhomocysteine (SAH), bicine, KCl, Tween20, dimethylsulfoxide (DMSO), bovine skin gelatin (BSG)...

US Patent US9732072 (2017)


BindingDB Entry DOI: 10.7270/Q2FF3VGW
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))		BDBM297724
PNG
((R)No FitNNo Fit((R)-2-hydroxy-3-(isoindolin-2-yl)...)
Show SMILES C[C@@H](Oc1cccc2cccnc12)C(=O)NC[C@@H](O)CN1Cc2ccccc2C1 |r|
Show InChI InChI=1S/C23H25N3O3/c1-16(29-21-10-4-8-17-9-5-11-24-22(17)21)23(28)25-12-20(27)15-26-13-18-6-2-3-7-19(18)14-26/h2-11,16,20,27H,12-15H2,1H3,(H,25,28)/t16-,20-/m1/s1
PDB

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n/an/a 5.50E+3n/an/an/an/an/an/a



Epizyme, Inc.

US Patent


Assay Description
General Materials.S-adenosylmethionine (SAM), S-adenosylhomocysteine (SAH), bicine, KCl, Tween20, dimethylsulfoxide (DMSO), bovine skin gelatin (BSG)...

US Patent US9732072 (2017)


BindingDB Entry DOI: 10.7270/Q2FF3VGW
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))		BDBM297722
PNG
(US10118918, Compound 1 | US9732072, Compound 1)
Show SMILES C[C@H](Oc1cccc2cccnc12)C(=O)NC[C@H](O)CN1Cc2ccccc2C1 |r|
Show InChI InChI=1S/C23H25N3O3/c1-16(29-21-10-4-8-17-9-5-11-24-22(17)21)23(28)25-12-20(27)15-26-13-18-6-2-3-7-19(18)14-26/h2-11,16,20,27H,12-15H2,1H3,(H,25,28)/t16-,20-/m0/s1
PDB

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Epizyme, Inc.

US Patent


Assay Description
General Materials.S-adenosylmethionine (SAM), S-adenosylhomocysteine (SAH), bicine, KCl, Tween20, dimethylsulfoxide (DMSO), bovine skin gelatin (BSG)...

US Patent US9732072 (2017)


BindingDB Entry DOI: 10.7270/Q2FF3VGW
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))		BDBM297723
PNG
(US10118918, Compound 2 | US9732072, Compound 2)
Show SMILES Nc1cccc(c1)C(=O)NCC(O)CN1Cc2ccccc2C1
Show InChI InChI=1S/C18H21N3O2/c19-16-7-3-6-13(8-16)18(23)20-9-17(22)12-21-10-14-4-1-2-5-15(14)11-21/h1-8,17,22H,9-12,19H2,(H,20,23)
PDB

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Epizyme, Inc.

US Patent


Assay Description
General Materials.S-adenosylmethionine (SAM), S-adenosylhomocysteine (SAH), bicine, KCl, Tween20, dimethylsulfoxide (DMSO), bovine skin gelatin (BSG)...

US Patent US9732072 (2017)


BindingDB Entry DOI: 10.7270/Q2FF3VGW
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))		BDBM297727
PNG
(N-(2-hydroxy-3-(isoindolin-2-yl)propyl)-3-((tetrah...)
Show SMILES C[C@H](Oc1cccc2cccnc12)C(=O)NC[C@@H](O)CN1Cc2ccccc2C1 |r|
Show InChI InChI=1S/C23H25N3O3/c1-16(29-21-10-4-8-17-9-5-11-24-22(17)21)23(28)25-12-20(27)15-26-13-18-6-2-3-7-19(18)14-26/h2-11,16,20,27H,12-15H2,1H3,(H,25,28)/t16-,20+/m0/s1
PDB

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n/an/a>1.00E+4n/an/an/an/an/an/a



Epizyme, Inc.

US Patent


Assay Description
General Materials.S-adenosylmethionine (SAM), S-adenosylhomocysteine (SAH), bicine, KCl, Tween20, dimethylsulfoxide (DMSO), bovine skin gelatin (BSG)...

US Patent US9732072 (2017)


BindingDB Entry DOI: 10.7270/Q2FF3VGW
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))		BDBM297735
PNG
(US10118918, Compound 14 | US9732072, Compound 14)
Show SMILES Cn1cnc2ccc(cc12)-c1cccc(OC[C@@H](O)CN2Cc3ccccc3C2)c1 |r|
Show InChI InChI=1S/C25H25N3O2/c1-27-17-26-24-10-9-19(12-25(24)27)18-7-4-8-23(11-18)30-16-22(29)15-28-13-20-5-2-3-6-21(20)14-28/h2-12,17,22,29H,13-16H2,1H3/t22-/m0/s1
PDB

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n/an/a 3.00E+4n/an/an/an/an/an/a



Epizyme, Inc.

US Patent


Assay Description
General Materials.S-adenosylmethionine (SAM), S-adenosylhomocysteine (SAH), bicine, KCl, Tween20, dimethylsulfoxide (DMSO), bovine skin gelatin (BSG)...

US Patent US9732072 (2017)


BindingDB Entry DOI: 10.7270/Q2FF3VGW
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))		BDBM297746
PNG
(US10118918, Compound 25 | US9732072, Compound 25)
Show SMILES Cn1ncc2ccc(OCC(=O)NC[C@@H](O)CN3Cc4ccccc4C3)cc12 |r|
Show InChI InChI=1S/C21H24N4O3/c1-24-20-8-19(7-6-15(20)9-23-24)28-14-21(27)22-10-18(26)13-25-11-16-4-2-3-5-17(16)12-25/h2-9,18,26H,10-14H2,1H3,(H,22,27)/t18-/m1/s1
PDB

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n/an/a 3.00E+4n/an/an/an/an/an/a



Epizyme, Inc.

US Patent


Assay Description
General Materials.S-adenosylmethionine (SAM), S-adenosylhomocysteine (SAH), bicine, KCl, Tween20, dimethylsulfoxide (DMSO), bovine skin gelatin (BSG)...

US Patent US9732072 (2017)


BindingDB Entry DOI: 10.7270/Q2FF3VGW
More data for this
Ligand-Target Pair