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PubMed code 19131248

Compile data set for download or QSAR
Found 19 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-arginine methyltransferase CARM1


(Mus musculus (mouse))
BDBM27642
PNG
(1-(5-{[(2S)-2-aminopropanamido]methyl}thiophen-3-y...)
Show SMILES COc1ccccc1CNC(=O)c1cc(nn1-c1csc(CNC(=O)[C@H](C)N)c1)C(F)(F)F |r|
Show InChI InChI=1S/C21H22F3N5O3S/c1-12(25)19(30)27-10-15-7-14(11-33-15)29-16(8-18(28-29)21(22,23)24)20(31)26-9-13-5-3-4-6-17(13)32-2/h3-8,11-12H,9-10,25H2,1-2H3,(H,26,31)(H,27,30)/t12-/m0/s1
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n/an/a 60n/an/an/an/a9.022



MethylGene Inc.



Assay Description
Histone H3 is used as the substrate for CARM-1 enzyme, and the methylation is monitored using tritiated S-Adenosyl-Methionine (SAM) as a methyl donor...


Bioorg Med Chem Lett 19: 1218-23 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.075
BindingDB Entry DOI: 10.7270/Q2K64GC6
More data for this
Ligand-Target Pair
Histone-arginine methyltransferase CARM1


(Mus musculus (mouse))
BDBM27641
PNG
(1-(3-{[(2S)-2-aminopropanamido]methyl}phenyl)-N-[(...)
Show SMILES COc1ccccc1CNC(=O)c1cc(nn1-c1cccc(CNC(=O)[C@H](C)N)c1)C(F)(F)F |r|
Show InChI InChI=1S/C23H24F3N5O3/c1-14(27)21(32)28-12-15-6-5-8-17(10-15)31-18(11-20(30-31)23(24,25)26)22(33)29-13-16-7-3-4-9-19(16)34-2/h3-11,14H,12-13,27H2,1-2H3,(H,28,32)(H,29,33)/t14-/m0/s1
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n/an/a 60n/an/an/an/a9.022



MethylGene Inc.



Assay Description
Histone H3 is used as the substrate for CARM-1 enzyme, and the methylation is monitored using tritiated S-Adenosyl-Methionine (SAM) as a methyl donor...


Bioorg Med Chem Lett 19: 1218-23 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.075
BindingDB Entry DOI: 10.7270/Q2K64GC6
More data for this
Ligand-Target Pair
Histone-arginine methyltransferase CARM1


(Mus musculus (mouse))
BDBM27659
PNG
(1-(3-{[(2S)-2-aminopropanamido]methyl}phenyl)-N-be...)
Show SMILES C[C@H](N)C(=O)NCc1cccc(c1)-n1nc(cc1C(=O)NCc1ccccc1)C(F)(F)F |r|
Show InChI InChI=1S/C22H22F3N5O2/c1-14(26)20(31)27-13-16-8-5-9-17(10-16)30-18(11-19(29-30)22(23,24)25)21(32)28-12-15-6-3-2-4-7-15/h2-11,14H,12-13,26H2,1H3,(H,27,31)(H,28,32)/t14-/m0/s1
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n/an/a 80n/an/an/an/a9.022



MethylGene Inc.



Assay Description
Histone H3 is used as the substrate for CARM-1 enzyme, and the methylation is monitored using tritiated S-Adenosyl-Methionine (SAM) as a methyl donor...


Bioorg Med Chem Lett 19: 1218-23 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.075
BindingDB Entry DOI: 10.7270/Q2K64GC6
More data for this
Ligand-Target Pair
Histone-arginine methyltransferase CARM1


(Mus musculus (mouse))
BDBM27650
PNG
(1-(5-{[(2S)-2-aminopropanamido]methyl}thiophen-3-y...)
Show SMILES C[C@H](N)C(=O)NCc1cc(cs1)-n1nc(cc1C(=O)NCc1ccccc1)C(F)(F)F |r|
Show InChI InChI=1S/C20H20F3N5O2S/c1-12(24)18(29)26-10-15-7-14(11-31-15)28-16(8-17(27-28)20(21,22)23)19(30)25-9-13-5-3-2-4-6-13/h2-8,11-12H,9-10,24H2,1H3,(H,25,30)(H,26,29)/t12-/m0/s1
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n/an/a 220n/an/an/an/a9.022



MethylGene Inc.



Assay Description
Histone H3 is used as the substrate for CARM-1 enzyme, and the methylation is monitored using tritiated S-Adenosyl-Methionine (SAM) as a methyl donor...


Bioorg Med Chem Lett 19: 1218-23 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.075
BindingDB Entry DOI: 10.7270/Q2K64GC6
More data for this
Ligand-Target Pair
Histone-arginine methyltransferase CARM1


(Mus musculus (mouse))
BDBM27655
PNG
(1-(5-{[(2S)-2-aminopropanamido]methyl}thiophen-2-y...)
Show SMILES C[C@H](N)C(=O)NCc1ccc(s1)-n1nc(cc1C(=O)NCc1ccccc1)C(F)(F)F |r|
Show InChI InChI=1S/C20H20F3N5O2S/c1-12(24)18(29)26-11-14-7-8-17(31-14)28-15(9-16(27-28)20(21,22)23)19(30)25-10-13-5-3-2-4-6-13/h2-9,12H,10-11,24H2,1H3,(H,25,30)(H,26,29)/t12-/m0/s1
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n/an/a 230n/an/an/an/a9.022



MethylGene Inc.



Assay Description
Histone H3 is used as the substrate for CARM-1 enzyme, and the methylation is monitored using tritiated S-Adenosyl-Methionine (SAM) as a methyl donor...


Bioorg Med Chem Lett 19: 1218-23 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.075
BindingDB Entry DOI: 10.7270/Q2K64GC6
More data for this
Ligand-Target Pair
Histone-arginine methyltransferase CARM1


(Mus musculus (mouse))
BDBM27651
PNG
(1-(5-{[(2S)-2-aminopropanamido]methyl}thiophen-3-y...)
Show SMILES C[C@H](N)C(=O)NCc1cc(cs1)-n1nc(cc1C(=O)NCc1ccccc1C)C(F)(F)F |r|
Show InChI InChI=1S/C21H22F3N5O2S/c1-12-5-3-4-6-14(12)9-26-20(31)17-8-18(21(22,23)24)28-29(17)15-7-16(32-11-15)10-27-19(30)13(2)25/h3-8,11,13H,9-10,25H2,1-2H3,(H,26,31)(H,27,30)/t13-/m0/s1
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n/an/a 260n/an/an/an/a9.022



MethylGene Inc.



Assay Description
Histone H3 is used as the substrate for CARM-1 enzyme, and the methylation is monitored using tritiated S-Adenosyl-Methionine (SAM) as a methyl donor...


Bioorg Med Chem Lett 19: 1218-23 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.075
BindingDB Entry DOI: 10.7270/Q2K64GC6
More data for this
Ligand-Target Pair
Histone-arginine methyltransferase CARM1


(Mus musculus (mouse))
BDBM27643
PNG
(1-(5-{[(2S)-2-aminopropanamido]methyl}thiophen-2-y...)
Show SMILES COc1ccccc1CNC(=O)c1cc(nn1-c1ccc(CNC(=O)[C@H](C)N)s1)C(F)(F)F |r|
Show InChI InChI=1S/C21H22F3N5O3S/c1-12(25)19(30)27-11-14-7-8-18(33-14)29-15(9-17(28-29)21(22,23)24)20(31)26-10-13-5-3-4-6-16(13)32-2/h3-9,12H,10-11,25H2,1-2H3,(H,26,31)(H,27,30)/t12-/m0/s1
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n/an/a 300n/an/an/an/a9.022



MethylGene Inc.



Assay Description
Histone H3 is used as the substrate for CARM-1 enzyme, and the methylation is monitored using tritiated S-Adenosyl-Methionine (SAM) as a methyl donor...


Bioorg Med Chem Lett 19: 1218-23 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.075
BindingDB Entry DOI: 10.7270/Q2K64GC6
More data for this
Ligand-Target Pair
Histone-arginine methyltransferase CARM1


(Mus musculus (mouse))
BDBM27652
PNG
(1-(5-{[(2S)-2-aminopropanamido]methyl}thiophen-3-y...)
Show SMILES COc1cccc(CNC(=O)c2cc(nn2-c2csc(CNC(=O)[C@H](C)N)c2)C(F)(F)F)c1 |r|
Show InChI InChI=1S/C21H22F3N5O3S/c1-12(25)19(30)27-10-16-7-14(11-33-16)29-17(8-18(28-29)21(22,23)24)20(31)26-9-13-4-3-5-15(6-13)32-2/h3-8,11-12H,9-10,25H2,1-2H3,(H,26,31)(H,27,30)/t12-/m0/s1
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n/an/a 370n/an/an/an/a9.022



MethylGene Inc.



Assay Description
Histone H3 is used as the substrate for CARM-1 enzyme, and the methylation is monitored using tritiated S-Adenosyl-Methionine (SAM) as a methyl donor...


Bioorg Med Chem Lett 19: 1218-23 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.075
BindingDB Entry DOI: 10.7270/Q2K64GC6
More data for this
Ligand-Target Pair
Histone-arginine methyltransferase CARM1


(Mus musculus (mouse))
BDBM27653
PNG
(methyl 2-({[1-(5-{[(2S)-2-aminopropanamido]methyl}...)
Show SMILES COC(=O)c1ccccc1CNC(=O)c1cc(nn1-c1csc(CNC(=O)[C@H](C)N)c1)C(F)(F)F |r|
Show InChI InChI=1S/C22H22F3N5O4S/c1-12(26)19(31)28-10-15-7-14(11-35-15)30-17(8-18(29-30)22(23,24)25)20(32)27-9-13-5-3-4-6-16(13)21(33)34-2/h3-8,11-12H,9-10,26H2,1-2H3,(H,27,32)(H,28,31)/t12-/m0/s1
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n/an/a 770n/an/an/an/a9.022



MethylGene Inc.



Assay Description
Histone H3 is used as the substrate for CARM-1 enzyme, and the methylation is monitored using tritiated S-Adenosyl-Methionine (SAM) as a methyl donor...


Bioorg Med Chem Lett 19: 1218-23 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.075
BindingDB Entry DOI: 10.7270/Q2K64GC6
More data for this
Ligand-Target Pair
Histone-arginine methyltransferase CARM1


(Mus musculus (mouse))
BDBM27649
PNG
(1-(5-{[(2S)-2-aminopropanamido]methyl}thiophen-3-y...)
Show SMILES C[C@H](N)C(=O)NCc1cc(cs1)-n1nc(cc1C(=O)NCc1ccccc1F)C(F)(F)F |r|
Show InChI InChI=1S/C20H19F4N5O2S/c1-11(25)18(30)27-9-14-6-13(10-32-14)29-16(7-17(28-29)20(22,23)24)19(31)26-8-12-4-2-3-5-15(12)21/h2-7,10-11H,8-9,25H2,1H3,(H,26,31)(H,27,30)/t11-/m0/s1
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n/an/a 790n/an/an/an/a9.022



MethylGene Inc.



Assay Description
Histone H3 is used as the substrate for CARM-1 enzyme, and the methylation is monitored using tritiated S-Adenosyl-Methionine (SAM) as a methyl donor...


Bioorg Med Chem Lett 19: 1218-23 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.075
BindingDB Entry DOI: 10.7270/Q2K64GC6
More data for this
Ligand-Target Pair
Histone-arginine methyltransferase CARM1


(Mus musculus (mouse))
BDBM27644
PNG
(1-(4-{[(2S)-2-aminopropanamido]methyl}-1,3-thiazol...)
Show SMILES COc1ccccc1CNC(=O)c1cc(nn1-c1nc(CNC(=O)[C@H](C)N)cs1)C(F)(F)F |r|
Show InChI InChI=1S/C20H21F3N6O3S/c1-11(24)17(30)26-9-13-10-33-19(27-13)29-14(7-16(28-29)20(21,22)23)18(31)25-8-12-5-3-4-6-15(12)32-2/h3-7,10-11H,8-9,24H2,1-2H3,(H,25,31)(H,26,30)/t11-/m0/s1
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n/an/a 2.20E+3n/an/an/an/a9.022



MethylGene Inc.



Assay Description
Histone H3 is used as the substrate for CARM-1 enzyme, and the methylation is monitored using tritiated S-Adenosyl-Methionine (SAM) as a methyl donor...


Bioorg Med Chem Lett 19: 1218-23 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.075
BindingDB Entry DOI: 10.7270/Q2K64GC6
More data for this
Ligand-Target Pair
Histone-arginine methyltransferase CARM1


(Mus musculus (mouse))
BDBM27654
PNG
(1-(5-{[(2S)-2-aminopropanamido]methyl}thiophen-2-y...)
Show SMILES C[C@H](N)C(=O)NCc1ccc(s1)-n1nc(cc1C(=O)NCc1ccccc1F)C(F)(F)F |r|
Show InChI InChI=1S/C20H19F4N5O2S/c1-11(25)18(30)27-10-13-6-7-17(32-13)29-15(8-16(28-29)20(22,23)24)19(31)26-9-12-4-2-3-5-14(12)21/h2-8,11H,9-10,25H2,1H3,(H,26,31)(H,27,30)/t11-/m0/s1
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n/an/a 2.31E+3n/an/an/an/a9.022



MethylGene Inc.



Assay Description
Histone H3 is used as the substrate for CARM-1 enzyme, and the methylation is monitored using tritiated S-Adenosyl-Methionine (SAM) as a methyl donor...


Bioorg Med Chem Lett 19: 1218-23 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.075
BindingDB Entry DOI: 10.7270/Q2K64GC6
More data for this
Ligand-Target Pair
Histone-arginine methyltransferase CARM1


(Mus musculus (mouse))
BDBM27657
PNG
(1-(5-{[(2S)-2-aminopropanamido]methyl}thiophen-2-y...)
Show SMILES CC(C)Oc1ccccc1CNC(=O)c1cc(nn1-c1ccc(CNC(=O)[C@H](C)N)s1)C(F)(F)F |r|
Show InChI InChI=1S/C23H26F3N5O3S/c1-13(2)34-18-7-5-4-6-15(18)11-28-22(33)17-10-19(23(24,25)26)30-31(17)20-9-8-16(35-20)12-29-21(32)14(3)27/h4-10,13-14H,11-12,27H2,1-3H3,(H,28,33)(H,29,32)/t14-/m0/s1
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n/an/a 2.92E+3n/an/an/an/a9.022



MethylGene Inc.



Assay Description
Histone H3 is used as the substrate for CARM-1 enzyme, and the methylation is monitored using tritiated S-Adenosyl-Methionine (SAM) as a methyl donor...


Bioorg Med Chem Lett 19: 1218-23 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.075
BindingDB Entry DOI: 10.7270/Q2K64GC6
More data for this
Ligand-Target Pair
Histone-arginine methyltransferase CARM1


(Mus musculus (mouse))
BDBM27646
PNG
(1-(6-{[(2S)-2-aminopropanamido]methyl}pyridin-2-yl...)
Show SMILES COc1ccccc1CNC(=O)c1cc(nn1-c1cccc(CNC(=O)[C@H](C)N)n1)C(F)(F)F |r|
Show InChI InChI=1S/C22H23F3N6O3/c1-13(26)20(32)28-12-15-7-5-9-19(29-15)31-16(10-18(30-31)22(23,24)25)21(33)27-11-14-6-3-4-8-17(14)34-2/h3-10,13H,11-12,26H2,1-2H3,(H,27,33)(H,28,32)/t13-/m0/s1
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n/an/a 3.05E+3n/an/an/an/a9.022



MethylGene Inc.



Assay Description
Histone H3 is used as the substrate for CARM-1 enzyme, and the methylation is monitored using tritiated S-Adenosyl-Methionine (SAM) as a methyl donor...


Bioorg Med Chem Lett 19: 1218-23 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.075
BindingDB Entry DOI: 10.7270/Q2K64GC6
More data for this
Ligand-Target Pair
Histone-arginine methyltransferase CARM1


(Mus musculus (mouse))
BDBM27658
PNG
(1-(5-{[(2S)-2-aminopropanamido]methyl}thiophen-3-y...)
Show SMILES C[C@H](N)C(=O)NCc1cc(cs1)-n1nc(cc1C(=O)NCc1ccccn1)C(F)(F)F |r|
Show InChI InChI=1S/C19H19F3N6O2S/c1-11(23)17(29)26-9-14-6-13(10-31-14)28-15(7-16(27-28)19(20,21)22)18(30)25-8-12-4-2-3-5-24-12/h2-7,10-11H,8-9,23H2,1H3,(H,25,30)(H,26,29)/t11-/m0/s1
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n/an/a 3.35E+3n/an/an/an/a9.022



MethylGene Inc.



Assay Description
Histone H3 is used as the substrate for CARM-1 enzyme, and the methylation is monitored using tritiated S-Adenosyl-Methionine (SAM) as a methyl donor...


Bioorg Med Chem Lett 19: 1218-23 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.075
BindingDB Entry DOI: 10.7270/Q2K64GC6
More data for this
Ligand-Target Pair
Histone-arginine methyltransferase CARM1


(Mus musculus (mouse))
BDBM27645
PNG
(1-(4-{[(2S)-2-aminopropanamido]methyl}pyridin-2-yl...)
Show SMILES COc1ccccc1CNC(=O)c1cc(nn1-c1cc(CNC(=O)[C@H](C)N)ccn1)C(F)(F)F |r|
Show InChI InChI=1S/C22H23F3N6O3/c1-13(26)20(32)28-11-14-7-8-27-19(9-14)31-16(10-18(30-31)22(23,24)25)21(33)29-12-15-5-3-4-6-17(15)34-2/h3-10,13H,11-12,26H2,1-2H3,(H,28,32)(H,29,33)/t13-/m0/s1
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n/an/a 4.20E+3n/an/an/an/a9.022



MethylGene Inc.



Assay Description
Histone H3 is used as the substrate for CARM-1 enzyme, and the methylation is monitored using tritiated S-Adenosyl-Methionine (SAM) as a methyl donor...


Bioorg Med Chem Lett 19: 1218-23 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.075
BindingDB Entry DOI: 10.7270/Q2K64GC6
More data for this
Ligand-Target Pair
Histone-arginine methyltransferase CARM1


(Mus musculus (mouse))
BDBM27656
PNG
(1-(5-{[(2S)-2-aminopropanamido]methyl}thiophen-2-y...)
Show SMILES C[C@H](N)C(=O)NCc1ccc(s1)-n1nc(cc1C(=O)NCc1ccccc1C(F)(F)F)C(F)(F)F |r|
Show InChI InChI=1S/C21H19F6N5O2S/c1-11(28)18(33)30-10-13-6-7-17(35-13)32-15(8-16(31-32)21(25,26)27)19(34)29-9-12-4-2-3-5-14(12)20(22,23)24/h2-8,11H,9-10,28H2,1H3,(H,29,34)(H,30,33)/t11-/m0/s1
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Article
PubMed
n/an/a 4.48E+3n/an/an/an/a9.022



MethylGene Inc.



Assay Description
Histone H3 is used as the substrate for CARM-1 enzyme, and the methylation is monitored using tritiated S-Adenosyl-Methionine (SAM) as a methyl donor...


Bioorg Med Chem Lett 19: 1218-23 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.075
BindingDB Entry DOI: 10.7270/Q2K64GC6
More data for this
Ligand-Target Pair
Histone-arginine methyltransferase CARM1


(Mus musculus (mouse))
BDBM27647
PNG
(1-{2-[(2S)-2-aminopropanoyl]-2,3-dihydro-1H-isoind...)
Show SMILES COc1ccccc1CNC(=O)c1cc(nn1-c1cccc2CN(Cc12)C(=O)[C@H](C)N)C(F)(F)F |r|
Show InChI InChI=1S/C24H24F3N5O3/c1-14(28)23(34)31-12-16-7-5-8-18(17(16)13-31)32-19(10-21(30-32)24(25,26)27)22(33)29-11-15-6-3-4-9-20(15)35-2/h3-10,14H,11-13,28H2,1-2H3,(H,29,33)/t14-/m0/s1
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UniChem

Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/a9.022



MethylGene Inc.



Assay Description
Histone H3 is used as the substrate for CARM-1 enzyme, and the methylation is monitored using tritiated S-Adenosyl-Methionine (SAM) as a methyl donor...


Bioorg Med Chem Lett 19: 1218-23 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.075
BindingDB Entry DOI: 10.7270/Q2K64GC6
More data for this
Ligand-Target Pair
Histone-arginine methyltransferase CARM1


(Mus musculus (mouse))
BDBM27648
PNG
(1-(2-{[(2S)-2-aminopropanamido]methyl}-1-benzofura...)
Show SMILES COc1ccccc1CNC(=O)c1cc(nn1-c1cccc2cc(CNC(=O)[C@H](C)N)oc12)C(F)(F)F |r|
Show InChI InChI=1S/C25H24F3N5O4/c1-14(29)23(34)31-13-17-10-15-7-5-8-18(22(15)37-17)33-19(11-21(32-33)25(26,27)28)24(35)30-12-16-6-3-4-9-20(16)36-2/h3-11,14H,12-13,29H2,1-2H3,(H,30,35)(H,31,34)/t14-/m0/s1
PDB
MMDB

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UniProtKB/SwissProt

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+4n/an/an/an/a9.022



MethylGene Inc.



Assay Description
Histone H3 is used as the substrate for CARM-1 enzyme, and the methylation is monitored using tritiated S-Adenosyl-Methionine (SAM) as a methyl donor...


Bioorg Med Chem Lett 19: 1218-23 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.075
BindingDB Entry DOI: 10.7270/Q2K64GC6
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%