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Compile Data Set for Download or QSAR

Found 356 hits with Last Name = 'eram' and Initial = 'ms'   
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 6


(Homo sapiens (Human))
BDBM178103
PNG
(MS023 (Compound 3) | N1-((4-(4-isopropoxyphenyl)-1...)
Show SMILES CC(C)Oc1ccc(cc1)-c1c[nH]cc1CN(C)CCN
Show InChI InChI=1S/C17H25N3O/c1-13(2)21-16-6-4-14(5-7-16)17-11-19-10-15(17)12-20(3)9-8-18/h4-7,10-11,13,19H,8-9,12,18H2,1-3H3
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0.800n/a 4n/an/an/an/an/an/a



University of Toronto



Assay Description
In brief, the tritiated S-adenosyl-L-methionine (3HSAM, PerkinElmer Life Sciences) was used as the donor of methyl group. The (3H) methylated biotin ...


ACS Chem Biol 11: 772-81 (2016)


Article DOI: 10.1021/acschembio.5b00839
BindingDB Entry DOI: 10.7270/Q2765D4H
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Protein arginine N-methyltransferase 8


(Homo sapiens (Human))
BDBM178103
PNG
(MS023 (Compound 3) | N1-((4-(4-isopropoxyphenyl)-1...)
Show SMILES CC(C)Oc1ccc(cc1)-c1c[nH]cc1CN(C)CCN
Show InChI InChI=1S/C17H25N3O/c1-13(2)21-16-6-4-14(5-7-16)17-11-19-10-15(17)12-20(3)9-8-18/h4-7,10-11,13,19H,8-9,12,18H2,1-3H3
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1.30n/a 5n/an/an/an/an/an/a



University of Toronto



Assay Description
In brief, the tritiated S-adenosyl-L-methionine (3HSAM, PerkinElmer Life Sciences) was used as the donor of methyl group. The (3H) methylated biotin ...


ACS Chem Biol 11: 772-81 (2016)


Article DOI: 10.1021/acschembio.5b00839
BindingDB Entry DOI: 10.7270/Q2765D4H
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 6


(Homo sapiens (Human))
BDBM178102
PNG
(N1-Methyl-N1-((4-(3-(trifluoromethyl)phenyl)-1H-py...)
Show SMILES CN(CCN)Cc1c[nH]cc1-c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C15H18F3N3/c1-21(6-5-19)10-12-8-20-9-14(12)11-3-2-4-13(7-11)15(16,17)18/h2-4,7-9,20H,5-6,10,19H2,1H3
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3n/a 9n/an/an/an/an/an/a



University of Toronto



Assay Description
In brief, the tritiated S-adenosyl-L-methionine (3HSAM, PerkinElmer Life Sciences) was used as the donor of methyl group. The (3H) methylated biotin ...


ACS Chem Biol 11: 772-81 (2016)


Article DOI: 10.1021/acschembio.5b00839
BindingDB Entry DOI: 10.7270/Q2765D4H
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 1 [11-371]


(Homo sapiens (Human))
BDBM178103
PNG
(MS023 (Compound 3) | N1-((4-(4-isopropoxyphenyl)-1...)
Show SMILES CC(C)Oc1ccc(cc1)-c1c[nH]cc1CN(C)CCN
Show InChI InChI=1S/C17H25N3O/c1-13(2)21-16-6-4-14(5-7-16)17-11-19-10-15(17)12-20(3)9-8-18/h4-7,10-11,13,19H,8-9,12,18H2,1-3H3
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11n/a 30n/an/an/an/an/an/a



University of Toronto



Assay Description
In brief, the tritiated S-adenosyl-L-methionine (3HSAM, PerkinElmer Life Sciences) was used as the donor of methyl group. The (3H) methylated biotin ...


ACS Chem Biol 11: 772-81 (2016)


Article DOI: 10.1021/acschembio.5b00839
BindingDB Entry DOI: 10.7270/Q2765D4H
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 8


(Homo sapiens (Human))
BDBM178102
PNG
(N1-Methyl-N1-((4-(3-(trifluoromethyl)phenyl)-1H-py...)
Show SMILES CN(CCN)Cc1c[nH]cc1-c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C15H18F3N3/c1-21(6-5-19)10-12-8-20-9-14(12)11-3-2-4-13(7-11)15(16,17)18/h2-4,7-9,20H,5-6,10,19H2,1H3
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17n/a 42n/an/an/an/an/an/a



University of Toronto



Assay Description
In brief, the tritiated S-adenosyl-L-methionine (3HSAM, PerkinElmer Life Sciences) was used as the donor of methyl group. The (3H) methylated biotin ...


ACS Chem Biol 11: 772-81 (2016)


Article DOI: 10.1021/acschembio.5b00839
BindingDB Entry DOI: 10.7270/Q2765D4H
More data for this
Ligand-Target Pair
Histone-arginine methyltransferase CARM1


(Homo sapiens (Human))
BDBM178103
PNG
(MS023 (Compound 3) | N1-((4-(4-isopropoxyphenyl)-1...)
Show SMILES CC(C)Oc1ccc(cc1)-c1c[nH]cc1CN(C)CCN
Show InChI InChI=1S/C17H25N3O/c1-13(2)21-16-6-4-14(5-7-16)17-11-19-10-15(17)12-20(3)9-8-18/h4-7,10-11,13,19H,8-9,12,18H2,1-3H3
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23n/a 83n/an/an/an/an/an/a



University of Toronto



Assay Description
In brief, the tritiated S-adenosyl-L-methionine (3HSAM, PerkinElmer Life Sciences) was used as the donor of methyl group. The (3H) methylated biotin ...


ACS Chem Biol 11: 772-81 (2016)


Article DOI: 10.1021/acschembio.5b00839
BindingDB Entry DOI: 10.7270/Q2765D4H
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 3 [N508S]


(Homo sapiens (Human))
BDBM178103
PNG
(MS023 (Compound 3) | N1-((4-(4-isopropoxyphenyl)-1...)
Show SMILES CC(C)Oc1ccc(cc1)-c1c[nH]cc1CN(C)CCN
Show InChI InChI=1S/C17H25N3O/c1-13(2)21-16-6-4-14(5-7-16)17-11-19-10-15(17)12-20(3)9-8-18/h4-7,10-11,13,19H,8-9,12,18H2,1-3H3
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55n/a 119n/an/an/an/an/an/a



University of Toronto



Assay Description
In brief, the tritiated S-adenosyl-L-methionine (3HSAM, PerkinElmer Life Sciences) was used as the donor of methyl group. The (3H) methylated biotin ...


ACS Chem Biol 11: 772-81 (2016)


Article DOI: 10.1021/acschembio.5b00839
BindingDB Entry DOI: 10.7270/Q2765D4H
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50194756
PNG
(CHEMBL3961701)
Show SMILES CNCCN1CCC(CC1)OCc1ccccc1
Show InChI InChI=1S/C15H24N2O/c1-16-9-12-17-10-7-15(8-11-17)18-13-14-5-3-2-4-6-14/h2-6,15-16H,7-13H2,1H3
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64n/an/an/an/an/an/an/an/a



Icahn School of Medicine at Mount Sinai

Curated by ChEMBL


Assay Description
Displacement of [3H]pentazocine from guinea pig sigma1 receptor


J Med Chem 59: 9124-9139 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01033
BindingDB Entry DOI: 10.7270/Q2028TGJ
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50194756
PNG
(CHEMBL3961701)
Show SMILES CNCCN1CCC(CC1)OCc1ccccc1
Show InChI InChI=1S/C15H24N2O/c1-16-9-12-17-10-7-15(8-11-17)18-13-14-5-3-2-4-6-14/h2-6,15-16H,7-13H2,1H3
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87n/an/an/an/an/an/an/an/a



Icahn School of Medicine at Mount Sinai

Curated by ChEMBL


Assay Description
Displacement of [3H]alpha-methylhistamine from human histamine H3 receptor expressed HEK Flp-In cell membranes


J Med Chem 59: 9124-9139 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01033
BindingDB Entry DOI: 10.7270/Q2028TGJ
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 6


(Homo sapiens (Human))
BDBM178101
PNG
(N1-Methyl-N1-((5-(3-(trifluoromethyl)phenyl)-2H-1,...)
Show SMILES CN(CCN)Cc1n[nH]nc1-c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C13H16F3N5/c1-21(6-5-17)8-11-12(19-20-18-11)9-3-2-4-10(7-9)13(14,15)16/h2-4,7H,5-6,8,17H2,1H3,(H,18,19,20)
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110n/a 230n/an/an/an/an/an/a



University of Toronto



Assay Description
In brief, the tritiated S-adenosyl-L-methionine (3HSAM, PerkinElmer Life Sciences) was used as the donor of methyl group. The (3H) methylated biotin ...


ACS Chem Biol 11: 772-81 (2016)


Article DOI: 10.1021/acschembio.5b00839
BindingDB Entry DOI: 10.7270/Q2765D4H
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 1 [11-371]


(Homo sapiens (Human))
BDBM178102
PNG
(N1-Methyl-N1-((4-(3-(trifluoromethyl)phenyl)-1H-py...)
Show SMILES CN(CCN)Cc1c[nH]cc1-c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C15H18F3N3/c1-21(6-5-19)10-12-8-20-9-14(12)11-3-2-4-13(7-11)15(16,17)18/h2-4,7-9,20H,5-6,10,19H2,1H3
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120n/a 250n/an/an/an/an/an/a



University of Toronto



Assay Description
In brief, the tritiated S-adenosyl-L-methionine (3HSAM, PerkinElmer Life Sciences) was used as the donor of methyl group. The (3H) methylated biotin ...


ACS Chem Biol 11: 772-81 (2016)


Article DOI: 10.1021/acschembio.5b00839
BindingDB Entry DOI: 10.7270/Q2765D4H
More data for this
Ligand-Target Pair
Histone-arginine methyltransferase CARM1


(Homo sapiens (Human))
BDBM178102
PNG
(N1-Methyl-N1-((4-(3-(trifluoromethyl)phenyl)-1H-py...)
Show SMILES CN(CCN)Cc1c[nH]cc1-c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C15H18F3N3/c1-21(6-5-19)10-12-8-20-9-14(12)11-3-2-4-13(7-11)15(16,17)18/h2-4,7-9,20H,5-6,10,19H2,1H3
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120n/a 260n/an/an/an/an/an/a



University of Toronto



Assay Description
In brief, the tritiated S-adenosyl-L-methionine (3HSAM, PerkinElmer Life Sciences) was used as the donor of methyl group. The (3H) methylated biotin ...


ACS Chem Biol 11: 772-81 (2016)


Article DOI: 10.1021/acschembio.5b00839
BindingDB Entry DOI: 10.7270/Q2765D4H
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 3 [N508S]


(Homo sapiens (Human))
BDBM178102
PNG
(N1-Methyl-N1-((4-(3-(trifluoromethyl)phenyl)-1H-py...)
Show SMILES CN(CCN)Cc1c[nH]cc1-c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C15H18F3N3/c1-21(6-5-19)10-12-8-20-9-14(12)11-3-2-4-13(7-11)15(16,17)18/h2-4,7-9,20H,5-6,10,19H2,1H3
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550n/a 1.10E+3n/an/an/an/an/an/a



University of Toronto



Assay Description
In brief, the tritiated S-adenosyl-L-methionine (3HSAM, PerkinElmer Life Sciences) was used as the donor of methyl group. The (3H) methylated biotin ...


ACS Chem Biol 11: 772-81 (2016)


Article DOI: 10.1021/acschembio.5b00839
BindingDB Entry DOI: 10.7270/Q2765D4H
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 8


(Homo sapiens (Human))
BDBM178101
PNG
(N1-Methyl-N1-((5-(3-(trifluoromethyl)phenyl)-2H-1,...)
Show SMILES CN(CCN)Cc1n[nH]nc1-c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C13H16F3N5/c1-21(6-5-17)8-11-12(19-20-18-11)9-3-2-4-10(7-9)13(14,15)16/h2-4,7H,5-6,8,17H2,1H3,(H,18,19,20)
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1.50E+3n/a 3.00E+3n/an/an/an/an/an/a



University of Toronto



Assay Description
In brief, the tritiated S-adenosyl-L-methionine (3HSAM, PerkinElmer Life Sciences) was used as the donor of methyl group. The (3H) methylated biotin ...


ACS Chem Biol 11: 772-81 (2016)


Article DOI: 10.1021/acschembio.5b00839
BindingDB Entry DOI: 10.7270/Q2765D4H
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 1 [11-371]


(Homo sapiens (Human))
BDBM178101
PNG
(N1-Methyl-N1-((5-(3-(trifluoromethyl)phenyl)-2H-1,...)
Show SMILES CN(CCN)Cc1n[nH]nc1-c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C13H16F3N5/c1-21(6-5-17)8-11-12(19-20-18-11)9-3-2-4-10(7-9)13(14,15)16/h2-4,7H,5-6,8,17H2,1H3,(H,18,19,20)
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>1.00E+4n/a>2.00E+4n/an/an/an/an/an/a



University of Toronto



Assay Description
In brief, the tritiated S-adenosyl-L-methionine (3HSAM, PerkinElmer Life Sciences) was used as the donor of methyl group. The (3H) methylated biotin ...


ACS Chem Biol 11: 772-81 (2016)


Article DOI: 10.1021/acschembio.5b00839
BindingDB Entry DOI: 10.7270/Q2765D4H
More data for this
Ligand-Target Pair
Histone-arginine methyltransferase CARM1


(Homo sapiens (Human))
BDBM178101
PNG
(N1-Methyl-N1-((5-(3-(trifluoromethyl)phenyl)-2H-1,...)
Show SMILES CN(CCN)Cc1n[nH]nc1-c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C13H16F3N5/c1-21(6-5-17)8-11-12(19-20-18-11)9-3-2-4-10(7-9)13(14,15)16/h2-4,7H,5-6,8,17H2,1H3,(H,18,19,20)
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>3.75E+4n/a>7.50E+4n/an/an/an/an/an/a



University of Toronto



Assay Description
In brief, the tritiated S-adenosyl-L-methionine (3HSAM, PerkinElmer Life Sciences) was used as the donor of methyl group. The (3H) methylated biotin ...


ACS Chem Biol 11: 772-81 (2016)


Article DOI: 10.1021/acschembio.5b00839
BindingDB Entry DOI: 10.7270/Q2765D4H
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 3 [N508S]


(Homo sapiens (Human))
BDBM178101
PNG
(N1-Methyl-N1-((5-(3-(trifluoromethyl)phenyl)-2H-1,...)
Show SMILES CN(CCN)Cc1n[nH]nc1-c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C13H16F3N5/c1-21(6-5-17)8-11-12(19-20-18-11)9-3-2-4-10(7-9)13(14,15)16/h2-4,7H,5-6,8,17H2,1H3,(H,18,19,20)
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>5.00E+4n/a>1.00E+5n/an/an/an/an/an/a



University of Toronto



Assay Description
In brief, the tritiated S-adenosyl-L-methionine (3HSAM, PerkinElmer Life Sciences) was used as the donor of methyl group. The (3H) methylated biotin ...


ACS Chem Biol 11: 772-81 (2016)


Article DOI: 10.1021/acschembio.5b00839
BindingDB Entry DOI: 10.7270/Q2765D4H
More data for this
Ligand-Target Pair
Histone-arginine methyltransferase CARM1


(Homo sapiens (Human))
BDBM178103
PNG
(MS023 (Compound 3) | N1-((4-(4-isopropoxyphenyl)-1...)
Show SMILES CC(C)Oc1ccc(cc1)-c1c[nH]cc1CN(C)CCN
Show InChI InChI=1S/C17H25N3O/c1-13(2)21-16-6-4-14(5-7-16)17-11-19-10-15(17)12-20(3)9-8-18/h4-7,10-11,13,19H,8-9,12,18H2,1-3H3
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n/an/a 4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PRMT4 (unknown origin) by scintillation proximity assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02160
BindingDB Entry DOI: 10.7270/Q20V8HN0
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 8


(Homo sapiens (Human))
BDBM178103
PNG
(MS023 (Compound 3) | N1-((4-(4-isopropoxyphenyl)-1...)
Show SMILES CC(C)Oc1ccc(cc1)-c1c[nH]cc1CN(C)CCN
Show InChI InChI=1S/C17H25N3O/c1-13(2)21-16-6-4-14(5-7-16)17-11-19-10-15(17)12-20(3)9-8-18/h4-7,10-11,13,19H,8-9,12,18H2,1-3H3
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n/an/a 4n/an/an/an/an/an/a



Icahn School of Medicine at Mount Sinai

Curated by ChEMBL


Assay Description
Inhibition of human PRMT8 assessed as inhibition of methylation activity using biotin-labeled peptide as substrate and [3H]-SAM by scintillation prox...


J Med Chem 59: 9124-9139 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01033
BindingDB Entry DOI: 10.7270/Q2028TGJ
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 3


(Homo sapiens)
BDBM178103
PNG
(MS023 (Compound 3) | N1-((4-(4-isopropoxyphenyl)-1...)
Show SMILES CC(C)Oc1ccc(cc1)-c1c[nH]cc1CN(C)CCN
Show InChI InChI=1S/C17H25N3O/c1-13(2)21-16-6-4-14(5-7-16)17-11-19-10-15(17)12-20(3)9-8-18/h4-7,10-11,13,19H,8-9,12,18H2,1-3H3
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TBA

Assay Description
Inhibition of PRMT3 (unknown origin) by scintillation proximity assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02160
BindingDB Entry DOI: 10.7270/Q20V8HN0
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 3 [N508S]


(Homo sapiens (Human))
BDBM178103
PNG
(MS023 (Compound 3) | N1-((4-(4-isopropoxyphenyl)-1...)
Show SMILES CC(C)Oc1ccc(cc1)-c1c[nH]cc1CN(C)CCN
Show InChI InChI=1S/C17H25N3O/c1-13(2)21-16-6-4-14(5-7-16)17-11-19-10-15(17)12-20(3)9-8-18/h4-7,10-11,13,19H,8-9,12,18H2,1-3H3
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n/an/a 4n/an/an/an/an/an/a



Icahn School of Medicine at Mount Sinai

Curated by ChEMBL


Assay Description
Inhibition of human PRMT3 assessed as inhibition of methylation activity using biotin-labeled peptide as substrate and [3H]-SAM by scintillation prox...


J Med Chem 59: 9124-9139 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01033
BindingDB Entry DOI: 10.7270/Q2028TGJ
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 6


(Homo sapiens (Human))
BDBM178103
PNG
(MS023 (Compound 3) | N1-((4-(4-isopropoxyphenyl)-1...)
Show SMILES CC(C)Oc1ccc(cc1)-c1c[nH]cc1CN(C)CCN
Show InChI InChI=1S/C17H25N3O/c1-13(2)21-16-6-4-14(5-7-16)17-11-19-10-15(17)12-20(3)9-8-18/h4-7,10-11,13,19H,8-9,12,18H2,1-3H3
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n/an/a 4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PRMT6 (unknown origin) by scintillation proximity assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02160
BindingDB Entry DOI: 10.7270/Q20V8HN0
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Histone-arginine methyltransferase CARM1


(Homo sapiens (Human))
BDBM178103
PNG
(MS023 (Compound 3) | N1-((4-(4-isopropoxyphenyl)-1...)
Show SMILES CC(C)Oc1ccc(cc1)-c1c[nH]cc1CN(C)CCN
Show InChI InChI=1S/C17H25N3O/c1-13(2)21-16-6-4-14(5-7-16)17-11-19-10-15(17)12-20(3)9-8-18/h4-7,10-11,13,19H,8-9,12,18H2,1-3H3
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n/an/a 4n/an/an/an/an/an/a



Icahn School of Medicine at Mount Sinai

Curated by ChEMBL


Assay Description
Inhibition of human PRMT4 assessed as inhibition of methylation activity using biotin-labeled peptide as substrate and [3H]-SAM by scintillation prox...


J Med Chem 59: 9124-9139 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01033
BindingDB Entry DOI: 10.7270/Q2028TGJ
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 8


(Homo sapiens (Human))
BDBM178103
PNG
(MS023 (Compound 3) | N1-((4-(4-isopropoxyphenyl)-1...)
Show SMILES CC(C)Oc1ccc(cc1)-c1c[nH]cc1CN(C)CCN
Show InChI InChI=1S/C17H25N3O/c1-13(2)21-16-6-4-14(5-7-16)17-11-19-10-15(17)12-20(3)9-8-18/h4-7,10-11,13,19H,8-9,12,18H2,1-3H3
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n/an/a 4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PRMT8 (unknown origin) by scintillation proximity assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02160
BindingDB Entry DOI: 10.7270/Q20V8HN0
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 6


(Homo sapiens (Human))
BDBM178103
PNG
(MS023 (Compound 3) | N1-((4-(4-isopropoxyphenyl)-1...)
Show SMILES CC(C)Oc1ccc(cc1)-c1c[nH]cc1CN(C)CCN
Show InChI InChI=1S/C17H25N3O/c1-13(2)21-16-6-4-14(5-7-16)17-11-19-10-15(17)12-20(3)9-8-18/h4-7,10-11,13,19H,8-9,12,18H2,1-3H3
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n/an/a 4n/an/an/an/an/an/a



Icahn School of Medicine at Mount Sinai

Curated by ChEMBL


Assay Description
Inhibition of human PRMT6 assessed as inhibition of methylation activity using biotin-labeled peptide as substrate and [3H]-SAM by scintillation prox...


J Med Chem 59: 9124-9139 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01033
BindingDB Entry DOI: 10.7270/Q2028TGJ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Protein arginine N-methyltransferase 1 [11-371]


(Homo sapiens (Human))
BDBM178103
PNG
(MS023 (Compound 3) | N1-((4-(4-isopropoxyphenyl)-1...)
Show SMILES CC(C)Oc1ccc(cc1)-c1c[nH]cc1CN(C)CCN
Show InChI InChI=1S/C17H25N3O/c1-13(2)21-16-6-4-14(5-7-16)17-11-19-10-15(17)12-20(3)9-8-18/h4-7,10-11,13,19H,8-9,12,18H2,1-3H3
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n/an/a 4n/an/an/an/an/an/a



Icahn School of Medicine at Mount Sinai

Curated by ChEMBL


Assay Description
Inhibition of human PRMT1 assessed as inhibition of methylation activity using biotin-labeled peptide as substrate and [3H]-SAM by scintillation prox...


J Med Chem 59: 9124-9139 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01033
BindingDB Entry DOI: 10.7270/Q2028TGJ
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 1


(Homo sapiens)
BDBM178103
PNG
(MS023 (Compound 3) | N1-((4-(4-isopropoxyphenyl)-1...)
Show SMILES CC(C)Oc1ccc(cc1)-c1c[nH]cc1CN(C)CCN
Show InChI InChI=1S/C17H25N3O/c1-13(2)21-16-6-4-14(5-7-16)17-11-19-10-15(17)12-20(3)9-8-18/h4-7,10-11,13,19H,8-9,12,18H2,1-3H3
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n/an/a 4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PRMT1 (unknown origin) by scintillation proximity assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02160
BindingDB Entry DOI: 10.7270/Q20V8HN0
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 3


(Homo sapiens)
BDBM50247381
PNG
(CHEMBL4079503)
Show SMILES Fc1cc2cc(NC(=O)NCC(=O)N3CCCC3)ccc2cn1
Show InChI InChI=1S/C16H17FN4O2/c17-14-8-12-7-13(4-3-11(12)9-18-14)20-16(23)19-10-15(22)21-5-1-2-6-21/h3-4,7-9H,1-2,5-6,10H2,(H2,19,20,23)
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n/an/a 10n/an/an/an/an/an/a



Icahn School of Medicine at Mount Sinai

Curated by ChEMBL


Assay Description
Inhibition of PRMT3 (unknown origin) using C-terminally biotinylated histone H4 as substrate in presence of [3H]S-adenosylmethionine by scintillation...


J Med Chem 61: 1204-1217 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01674
BindingDB Entry DOI: 10.7270/Q24J0HK6
More data for this
Ligand-Target Pair
Histone-arginine methyltransferase CARM1


(Homo sapiens (Human))
BDBM50194730
PNG
(CHEMBL3906680)
Show SMILES CNCCN1CCC(CC1)OCc1ccccc1Br
Show InChI InChI=1S/C15H23BrN2O/c1-17-8-11-18-9-6-14(7-10-18)19-12-13-4-2-3-5-15(13)16/h2-5,14,17H,6-12H2,1H3
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n/an/a 14n/an/an/an/an/an/a



Icahn School of Medicine at Mount Sinai

Curated by ChEMBL


Assay Description
Inhibition of human full length PRMT4 (1 to 608 residues) expressed in 293F cells assessed as inhibition of methylation activity preincubated with pr...


J Med Chem 59: 9124-9139 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01033
BindingDB Entry DOI: 10.7270/Q2028TGJ
More data for this
Ligand-Target Pair
Histone-arginine methyltransferase CARM1


(Homo sapiens (Human))
BDBM50194766
PNG
(CHEMBL3938938)
Show SMILES CNCCN1CCC(CC1)OCc1ccc(Br)cc1
Show InChI InChI=1S/C15H23BrN2O/c1-17-8-11-18-9-6-15(7-10-18)19-12-13-2-4-14(16)5-3-13/h2-5,15,17H,6-12H2,1H3
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n/an/a 15n/an/an/an/an/an/a



Icahn School of Medicine at Mount Sinai

Curated by ChEMBL


Assay Description
Inhibition of human full length PRMT4 (1 to 608 residues) expressed in 293F cells assessed as inhibition of methylation activity preincubated with pr...


J Med Chem 59: 9124-9139 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01033
BindingDB Entry DOI: 10.7270/Q2028TGJ
More data for this
Ligand-Target Pair
Histone-arginine methyltransferase CARM1


(Homo sapiens (Human))
BDBM50194785
PNG
(CHEMBL3956007)
Show SMILES CNCCN1CCC(CC1)OCc1ccc(cc1)-n1nc(C)cc1C
Show InChI InChI=1S/C20H30N4O/c1-16-14-17(2)24(22-16)19-6-4-18(5-7-19)15-25-20-8-11-23(12-9-20)13-10-21-3/h4-7,14,20-21H,8-13,15H2,1-3H3
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Icahn School of Medicine at Mount Sinai

Curated by ChEMBL


Assay Description
Inhibition of human full length PRMT4 (1 to 608 residues) expressed in 293F cells assessed as inhibition of methylation activity preincubated with pr...


J Med Chem 59: 9124-9139 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01033
BindingDB Entry DOI: 10.7270/Q2028TGJ
More data for this
Ligand-Target Pair
Histone-arginine methyltransferase CARM1


(Homo sapiens (Human))
BDBM50194780
PNG
(CHEMBL3911620)
Show SMILES CCC(C)(C)c1ccc(COC2CCN(CCNC)CC2)cc1
Show InChI InChI=1S/C20H34N2O/c1-5-20(2,3)18-8-6-17(7-9-18)16-23-19-10-13-22(14-11-19)15-12-21-4/h6-9,19,21H,5,10-16H2,1-4H3
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n/an/a 16n/an/an/an/an/an/a



Icahn School of Medicine at Mount Sinai

Curated by ChEMBL


Assay Description
Inhibition of human full length PRMT4 (1 to 608 residues) expressed in 293F cells assessed as inhibition of methylation activity preincubated with pr...


J Med Chem 59: 9124-9139 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01033
BindingDB Entry DOI: 10.7270/Q2028TGJ
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 3


(Homo sapiens)
BDBM50247397
PNG
(CHEMBL4076640)
Show SMILES O=C(NCC(=O)N1CCCCCC1)Nc1ccc2cnccc2c1
Show InChI InChI=1S/C18H22N4O2/c23-17(22-9-3-1-2-4-10-22)13-20-18(24)21-16-6-5-15-12-19-8-7-14(15)11-16/h5-8,11-12H,1-4,9-10,13H2,(H2,20,21,24)
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n/an/a 17n/an/an/an/an/an/a



Icahn School of Medicine at Mount Sinai

Curated by ChEMBL


Assay Description
Inhibition of PRMT3 (unknown origin) using C-terminally biotinylated histone H4 as substrate in presence of [3H]S-adenosylmethionine by scintillation...


J Med Chem 61: 1204-1217 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01674
BindingDB Entry DOI: 10.7270/Q24J0HK6
More data for this
Ligand-Target Pair
Histone-arginine methyltransferase CARM1


(Homo sapiens (Human))
BDBM50194759
PNG
(CHEMBL3983725)
Show SMILES CNCCN1CCC(CC1)OCc1cccc(Br)c1
Show InChI InChI=1S/C15H23BrN2O/c1-17-7-10-18-8-5-15(6-9-18)19-12-13-3-2-4-14(16)11-13/h2-4,11,15,17H,5-10,12H2,1H3
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Icahn School of Medicine at Mount Sinai

Curated by ChEMBL


Assay Description
Inhibition of human full length PRMT4 (1 to 608 residues) expressed in 293F cells assessed as inhibition of methylation activity preincubated with pr...


J Med Chem 59: 9124-9139 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01033
BindingDB Entry DOI: 10.7270/Q2028TGJ
More data for this
Ligand-Target Pair
Histone-arginine methyltransferase CARM1


(Homo sapiens (Human))
BDBM50194763
PNG
(CHEMBL3957029)
Show SMILES CNCCN1CCC(CC1)OCc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C21H28N2O/c1-22-13-16-23-14-11-21(12-15-23)24-17-18-7-9-20(10-8-18)19-5-3-2-4-6-19/h2-10,21-22H,11-17H2,1H3
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n/an/a 17n/an/an/an/an/an/a



Icahn School of Medicine at Mount Sinai

Curated by ChEMBL


Assay Description
Inhibition of human full length PRMT4 (1 to 608 residues) expressed in 293F cells assessed as inhibition of methylation activity preincubated with pr...


J Med Chem 59: 9124-9139 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01033
BindingDB Entry DOI: 10.7270/Q2028TGJ
More data for this
Ligand-Target Pair
Histone-arginine methyltransferase CARM1


(Homo sapiens (Human))
BDBM50194775
PNG
(CHEMBL3943629)
Show SMILES CNCCN1CCC(CC1)OCc1ccc(Cl)cc1
Show InChI InChI=1S/C15H23ClN2O/c1-17-8-11-18-9-6-15(7-10-18)19-12-13-2-4-14(16)5-3-13/h2-5,15,17H,6-12H2,1H3
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n/an/a 18n/an/an/an/an/an/a



Icahn School of Medicine at Mount Sinai

Curated by ChEMBL


Assay Description
Inhibition of human full length PRMT4 (1 to 608 residues) expressed in 293F cells assessed as inhibition of methylation activity preincubated with pr...


J Med Chem 59: 9124-9139 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01033
BindingDB Entry DOI: 10.7270/Q2028TGJ
More data for this
Ligand-Target Pair
Histone-arginine methyltransferase CARM1


(Homo sapiens (Human))
BDBM50194776
PNG
(CHEMBL3952337)
Show SMILES CNCCN1CCC(CC1)OCc1ccccc1Cl
Show InChI InChI=1S/C15H23ClN2O/c1-17-8-11-18-9-6-14(7-10-18)19-12-13-4-2-3-5-15(13)16/h2-5,14,17H,6-12H2,1H3
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n/an/a 18n/an/an/an/an/an/a



Icahn School of Medicine at Mount Sinai

Curated by ChEMBL


Assay Description
Inhibition of human full length PRMT4 (1 to 608 residues) expressed in 293F cells assessed as inhibition of methylation activity preincubated with pr...


J Med Chem 59: 9124-9139 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01033
BindingDB Entry DOI: 10.7270/Q2028TGJ
More data for this
Ligand-Target Pair
Histone-arginine methyltransferase CARM1


(Homo sapiens (Human))
BDBM50194768
PNG
(CHEMBL3924657)
Show SMILES CNCCN1CCC(CC1)OCc1ccc(F)cc1
Show InChI InChI=1S/C15H23FN2O/c1-17-8-11-18-9-6-15(7-10-18)19-12-13-2-4-14(16)5-3-13/h2-5,15,17H,6-12H2,1H3
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Icahn School of Medicine at Mount Sinai

Curated by ChEMBL


Assay Description
Inhibition of human full length PRMT4 (1 to 608 residues) expressed in 293F cells assessed as inhibition of methylation activity preincubated with pr...


J Med Chem 59: 9124-9139 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01033
BindingDB Entry DOI: 10.7270/Q2028TGJ
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 3


(Homo sapiens)
BDBM50247349
PNG
(CHEMBL4072005)
Show SMILES O=C(NCC(=O)N1CCCC1)Nc1ccc2cnccc2c1
Show InChI InChI=1S/C16H18N4O2/c21-15(20-7-1-2-8-20)11-18-16(22)19-14-4-3-13-10-17-6-5-12(13)9-14/h3-6,9-10H,1-2,7-8,11H2,(H2,18,19,22)
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n/an/a 19n/an/an/an/an/an/a



Icahn School of Medicine at Mount Sinai

Curated by ChEMBL


Assay Description
Inhibition of PRMT3 (unknown origin) using C-terminally biotinylated histone H4 as substrate in presence of [3H]S-adenosylmethionine by scintillation...


J Med Chem 61: 1204-1217 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01674
BindingDB Entry DOI: 10.7270/Q24J0HK6
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Protein arginine N-methyltransferase 3


(Homo sapiens)
BDBM50247380
PNG
(CHEMBL4061429)
Show SMILES Clc1cc(NC(=O)NCC(=O)N2CCCC2)cc2ccncc12
Show InChI InChI=1S/C16H17ClN4O2/c17-14-8-12(7-11-3-4-18-9-13(11)14)20-16(23)19-10-15(22)21-5-1-2-6-21/h3-4,7-9H,1-2,5-6,10H2,(H2,19,20,23)
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n/an/a 19n/an/an/an/an/an/a



Icahn School of Medicine at Mount Sinai

Curated by ChEMBL


Assay Description
Inhibition of PRMT3 (unknown origin) using C-terminally biotinylated histone H4 as substrate in presence of [3H]S-adenosylmethionine by scintillation...


J Med Chem 61: 1204-1217 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01674
BindingDB Entry DOI: 10.7270/Q24J0HK6
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 3


(Homo sapiens)
BDBM50247361
PNG
(CHEMBL4077534)
Show SMILES Fc1cc2cnccc2cc1NC(=O)NCC(=O)N1CCCC1
Show InChI InChI=1S/C16H17FN4O2/c17-13-7-12-9-18-4-3-11(12)8-14(13)20-16(23)19-10-15(22)21-5-1-2-6-21/h3-4,7-9H,1-2,5-6,10H2,(H2,19,20,23)
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n/an/a 19n/an/an/an/an/an/a



Icahn School of Medicine at Mount Sinai

Curated by ChEMBL


Assay Description
Inhibition of PRMT3 (unknown origin) using C-terminally biotinylated histone H4 as substrate in presence of [3H]S-adenosylmethionine by scintillation...


J Med Chem 61: 1204-1217 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01674
BindingDB Entry DOI: 10.7270/Q24J0HK6
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 3


(Homo sapiens)
BDBM50247362
PNG
(CHEMBL4061085)
Show SMILES O=C(NCC(=O)N1C2CCC1CCC2)Nc1ccc2cnccc2c1 |TLB:4:6:8.9:13.12.11|
Show InChI InChI=1S/C19H22N4O2/c24-18(23-16-2-1-3-17(23)7-6-16)12-21-19(25)22-15-5-4-14-11-20-9-8-13(14)10-15/h4-5,8-11,16-17H,1-3,6-7,12H2,(H2,21,22,25)
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n/an/a 22n/an/an/an/an/an/a



Icahn School of Medicine at Mount Sinai

Curated by ChEMBL


Assay Description
Inhibition of PRMT3 (unknown origin) using C-terminally biotinylated histone H4 as substrate in presence of [3H]S-adenosylmethionine by scintillation...


J Med Chem 61: 1204-1217 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01674
BindingDB Entry DOI: 10.7270/Q24J0HK6
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 3


(Homo sapiens)
BDBM50247358
PNG
(CHEMBL4071410)
Show SMILES CC1CCC(C)N1C(=O)CNC(=O)Nc1ccc2cnccc2c1
Show InChI InChI=1S/C18H22N4O2/c1-12-3-4-13(2)22(12)17(23)11-20-18(24)21-16-6-5-15-10-19-8-7-14(15)9-16/h5-10,12-13H,3-4,11H2,1-2H3,(H2,20,21,24)
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n/an/a 22n/an/an/an/an/an/a



Icahn School of Medicine at Mount Sinai

Curated by ChEMBL


Assay Description
Inhibition of PRMT3 (unknown origin) using C-terminally biotinylated histone H4 as substrate in presence of [3H]S-adenosylmethionine by scintillation...


J Med Chem 61: 1204-1217 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01674
BindingDB Entry DOI: 10.7270/Q24J0HK6
More data for this
Ligand-Target Pair
Methylosome protein 50/Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM50366992
PNG
(CHEMBL4168754)
Show SMILES [H][C@@]1(O[C@H]([C@H](O)[C@@H]1O)n1ccc2c(N)ncnc12)[C@H](O)c1ccccc1 |r|
Show InChI InChI=1S/C17H18N4O4/c18-15-10-6-7-21(16(10)20-8-19-15)17-13(24)12(23)14(25-17)11(22)9-4-2-1-3-5-9/h1-8,11-14,17,22-24H,(H2,18,19,20)/t11-,12+,13-,14-,17-/m1/s1
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n/an/a 22n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PRMT5/MEP50 complex (unknown origin) expressed in Sf9 insect cells using SGRGKGGKGLGKGGAKRHRKVLRDK-Biotin as substrate measured after 2...


ACS Med Chem Lett 9: 612-617 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00014
BindingDB Entry DOI: 10.7270/Q2TF00XN
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Histone-arginine methyltransferase CARM1


(Homo sapiens (Human))
BDBM50194728
PNG
(CHEMBL3984626)
Show SMILES CNCCN1CCC(CC1)OCc1ccc(Oc2cccc(Cl)c2Cl)cc1
Show InChI InChI=1S/C21H26Cl2N2O2/c1-24-11-14-25-12-9-17(10-13-25)26-15-16-5-7-18(8-6-16)27-20-4-2-3-19(22)21(20)23/h2-8,17,24H,9-15H2,1H3
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n/an/a 22n/an/an/an/an/an/a



Icahn School of Medicine at Mount Sinai

Curated by ChEMBL


Assay Description
Inhibition of human full length PRMT4 (1 to 608 residues) expressed in 293F cells assessed as inhibition of methylation activity preincubated with pr...


J Med Chem 59: 9124-9139 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01033
BindingDB Entry DOI: 10.7270/Q2028TGJ
More data for this
Ligand-Target Pair
Histone-arginine methyltransferase CARM1


(Homo sapiens (Human))
BDBM50194765
PNG
(CHEMBL3925764)
Show SMILES CNCCN1CCC(CC1)OCc1ccccc1C(F)(F)F
Show InChI InChI=1S/C16H23F3N2O/c1-20-8-11-21-9-6-14(7-10-21)22-12-13-4-2-3-5-15(13)16(17,18)19/h2-5,14,20H,6-12H2,1H3
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n/an/a 23n/an/an/an/an/an/a



Icahn School of Medicine at Mount Sinai

Curated by ChEMBL


Assay Description
Inhibition of human full length PRMT4 (1 to 608 residues) expressed in 293F cells assessed as inhibition of methylation activity preincubated with pr...


J Med Chem 59: 9124-9139 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01033
BindingDB Entry DOI: 10.7270/Q2028TGJ
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 3


(Homo sapiens)
BDBM50247359
PNG
(CHEMBL4062783)
Show SMILES FC1(F)CN(CC1(F)F)C(=O)CNC(=O)Nc1ccc2cnccc2c1
Show InChI InChI=1S/C16H14F4N4O2/c17-15(18)8-24(9-16(15,19)20)13(25)7-22-14(26)23-12-2-1-11-6-21-4-3-10(11)5-12/h1-6H,7-9H2,(H2,22,23,26)
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n/an/a 24n/an/an/an/an/an/a



Icahn School of Medicine at Mount Sinai

Curated by ChEMBL


Assay Description
Inhibition of PRMT3 (unknown origin) using C-terminally biotinylated histone H4 as substrate in presence of [3H]S-adenosylmethionine by scintillation...


J Med Chem 61: 1204-1217 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01674
BindingDB Entry DOI: 10.7270/Q24J0HK6
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM50366992
PNG
(CHEMBL4168754)
Show SMILES [H][C@@]1(O[C@H]([C@H](O)[C@@H]1O)n1ccc2c(N)ncnc12)[C@H](O)c1ccccc1 |r|
Show InChI InChI=1S/C17H18N4O4/c18-15-10-6-7-21(16(10)20-8-19-15)17-13(24)12(23)14(25-17)11(22)9-4-2-1-3-5-9/h1-8,11-14,17,22-24H,(H2,18,19,20)/t11-,12+,13-,14-,17-/m1/s1
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n/an/a 25n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PRMT5 in human MCF7 cells assessed as reduction in SmBB'-Rme2s levels after 48 hrs by Western blot analysis


ACS Med Chem Lett 9: 612-617 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00014
BindingDB Entry DOI: 10.7270/Q2TF00XN
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Protein arginine N-methyltransferase 6


(Homo sapiens (Human))
BDBM50194730
PNG
(CHEMBL3906680)
Show SMILES CNCCN1CCC(CC1)OCc1ccccc1Br
Show InChI InChI=1S/C15H23BrN2O/c1-17-8-11-18-9-6-14(7-10-18)19-12-13-4-2-3-5-15(13)16/h2-5,14,17H,6-12H2,1H3
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Icahn School of Medicine at Mount Sinai

Curated by ChEMBL


Assay Description
Inhibition of human full length PRMT6 (1 to 375 residues) expressed in baculovirus expression system assessed as inhibition of methylation activity p...


J Med Chem 59: 9124-9139 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01033
BindingDB Entry DOI: 10.7270/Q2028TGJ
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 6


(Homo sapiens (Human))
BDBM50194785
PNG
(CHEMBL3956007)
Show SMILES CNCCN1CCC(CC1)OCc1ccc(cc1)-n1nc(C)cc1C
Show InChI InChI=1S/C20H30N4O/c1-16-14-17(2)24(22-16)19-6-4-18(5-7-19)15-25-20-8-11-23(12-9-20)13-10-21-3/h4-7,14,20-21H,8-13,15H2,1-3H3
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Icahn School of Medicine at Mount Sinai

Curated by ChEMBL


Assay Description
Inhibition of human full length PRMT6 (1 to 375 residues) expressed in baculovirus expression system assessed as inhibition of methylation activity p...


J Med Chem 59: 9124-9139 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01033
BindingDB Entry DOI: 10.7270/Q2028TGJ
More data for this
Ligand-Target Pair
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