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Compile Data Set for Download or QSAR

Found 41 hits Enz. Inhib. hit(s) with all data for entry = 50047291   
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


(Homo sapiens (Human))
BDBM50158375
PNG
(CHEMBL3781284)
Show SMILES C[C@@H](N)C(=O)NCc1cccc(c1)-n1nc(cc1-c1nnc(o1)-c1cccc2[nH]ccc12)C(F)(F)F |r|
Show InChI InChI=1/C24H20F3N7O2/c1-13(28)21(35)30-12-14-4-2-5-15(10-14)34-19(11-20(33-34)24(25,26)27)23-32-31-22(36-23)17-6-3-7-18-16(17)8-9-29-18/h2-11,13,29H,12,28H2,1H3,(H,30,35)/t13-/s2
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n/an/a 27n/an/an/an/an/an/a



University of Toronto

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged CARM1 (unknown origin) using tritiated S-adenosylmethionine as substrate at 6 nM by methylation- based filter assay


J Med Chem 59: 1176-83 (2016)


BindingDB Entry DOI: 10.7270/Q2SF2Z11
More data for this
Ligand-Target Pair
Histone-arginine methyltransferase CARM1


(Homo sapiens (Human))
BDBM50158100
PNG
(CHEMBL1614812)
Show SMILES CNCCN1CCC(CC1)c1ccc2[nH]c(c(F)c2c1)-c1ccccc1OC
Show InChI InChI=1S/C23H28FN3O/c1-25-11-14-27-12-9-16(10-13-27)17-7-8-20-19(15-17)22(24)23(26-20)18-5-3-4-6-21(18)28-2/h3-8,15-16,25-26H,9-14H2,1-2H3
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n/an/a 30n/an/an/an/an/an/a



University of Toronto

Curated by ChEMBL


Assay Description
Inhibition of human PRMT4 using 24 residues of biotin labelled histone4 substrate and tritiated 3H-S-adenosylmethionine by scintillation proximity as...


J Med Chem 59: 1176-83 (2016)


BindingDB Entry DOI: 10.7270/Q2SF2Z11
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Histone-arginine methyltransferase CARM1


(Homo sapiens (Human))
BDBM50158097
PNG
(CHEMBL3780701)
Show SMILES CNCCN1CCC(C)CC1
Show InChI InChI=1S/C9H20N2/c1-9-3-6-11(7-4-9)8-5-10-2/h9-10H,3-8H2,1-2H3
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n/an/a 200n/an/an/an/an/an/a



University of Toronto

Curated by ChEMBL


Assay Description
Inhibition of CARM1 (unknown origin) using 24 residues of biotin labelled histone4 substrate and tritiated 3H-S-adenosylmethionine by scintillation p...


J Med Chem 59: 1176-83 (2016)


BindingDB Entry DOI: 10.7270/Q2SF2Z11
More data for this
Ligand-Target Pair
Histone-arginine methyltransferase CARM1


(Homo sapiens (Human))
BDBM50158097
PNG
(CHEMBL3780701)
Show SMILES CNCCN1CCC(C)CC1
Show InChI InChI=1S/C9H20N2/c1-9-3-6-11(7-4-9)8-5-10-2/h9-10H,3-8H2,1-2H3
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n/an/a 200n/an/an/an/an/an/a



University of Toronto

Curated by ChEMBL


Assay Description
Inhibition of human PRMT4 using 24 residues of biotin labelled histone4 substrate and tritiated 3H-S-adenosylmethionine by scintillation proximity as...


J Med Chem 59: 1176-83 (2016)


BindingDB Entry DOI: 10.7270/Q2SF2Z11
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 6


(Homo sapiens (Human))
BDBM50158094
PNG
(CHEMBL3780926)
Show SMILES NCCN1CCC(Cc2ccccc2)CC1
Show InChI InChI=1S/C14H22N2/c15-8-11-16-9-6-14(7-10-16)12-13-4-2-1-3-5-13/h1-5,14H,6-12,15H2
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n/an/a 230n/an/an/an/an/an/a



University of Toronto

Curated by ChEMBL


Assay Description
Inhibition of N-terminal hexa-His tagged human PRMT6 expressed in Sf9 cells using 24 residues of biotin labelled histone4 substrate and tritiated 3H-...


J Med Chem 59: 1176-83 (2016)


BindingDB Entry DOI: 10.7270/Q2SF2Z11
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Histone-arginine methyltransferase CARM1


(Homo sapiens (Human))
BDBM50158094
PNG
(CHEMBL3780926)
Show SMILES NCCN1CCC(Cc2ccccc2)CC1
Show InChI InChI=1S/C14H22N2/c15-8-11-16-9-6-14(7-10-16)12-13-4-2-1-3-5-13/h1-5,14H,6-12,15H2
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n/an/a 1.00E+3n/an/an/an/an/an/a



University of Toronto

Curated by ChEMBL


Assay Description
Inhibition of human PRMT4 using 24 residues of biotin labelled histone4 substrate and tritiated 3H-S-adenosylmethionine by scintillation proximity as...


J Med Chem 59: 1176-83 (2016)


BindingDB Entry DOI: 10.7270/Q2SF2Z11
More data for this
Ligand-Target Pair
Histone-arginine methyltransferase CARM1


(Homo sapiens (Human))
BDBM50158094
PNG
(CHEMBL3780926)
Show SMILES NCCN1CCC(Cc2ccccc2)CC1
Show InChI InChI=1S/C14H22N2/c15-8-11-16-9-6-14(7-10-16)12-13-4-2-1-3-5-13/h1-5,14H,6-12,15H2
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n/an/a 1.00E+3n/an/an/an/an/an/a



University of Toronto

Curated by ChEMBL


Assay Description
Inhibition of CARM1 (unknown origin) using 24 residues of biotin labelled histone4 substrate and tritiated 3H-S-adenosylmethionine by scintillation p...


J Med Chem 59: 1176-83 (2016)


BindingDB Entry DOI: 10.7270/Q2SF2Z11
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 8


(Homo sapiens (Human))
BDBM50158094
PNG
(CHEMBL3780926)
Show SMILES NCCN1CCC(Cc2ccccc2)CC1
Show InChI InChI=1S/C14H22N2/c15-8-11-16-9-6-14(7-10-16)12-13-4-2-1-3-5-13/h1-5,14H,6-12,15H2
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n/an/a 2.10E+3n/an/an/an/an/an/a



University of Toronto

Curated by ChEMBL


Assay Description
Inhibition of human PRMT8 using 24 residues of biotin labelled histone4 substrate and tritiated 3H-S-adenosylmethionine by scintillation proximity as...


J Med Chem 59: 1176-83 (2016)


BindingDB Entry DOI: 10.7270/Q2SF2Z11
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 6


(Homo sapiens (Human))
BDBM50158097
PNG
(CHEMBL3780701)
Show SMILES CNCCN1CCC(C)CC1
Show InChI InChI=1S/C9H20N2/c1-9-3-6-11(7-4-9)8-5-10-2/h9-10H,3-8H2,1-2H3
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n/an/a 2.10E+3n/an/an/an/an/an/a



University of Toronto

Curated by ChEMBL


Assay Description
Inhibition of N-terminal hexa-His tagged human PRMT6 expressed in Sf9 cells using 24 residues of biotin labelled histone4 substrate and tritiated 3H-...


J Med Chem 59: 1176-83 (2016)


BindingDB Entry DOI: 10.7270/Q2SF2Z11
More data for this
Ligand-Target Pair
Histone-arginine methyltransferase CARM1


(Homo sapiens (Human))
BDBM50158095
PNG
(CHEMBL3780444)
Show SMILES CNCCN(C)C
Show InChI InChI=1S/C5H14N2/c1-6-4-5-7(2)3/h6H,4-5H2,1-3H3
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n/an/a 3.00E+3n/an/an/an/an/an/a



University of Toronto

Curated by ChEMBL


Assay Description
Inhibition of CARM1 (unknown origin) using 24 residues of biotin labelled histone4 substrate and tritiated 3H-S-adenosylmethionine by scintillation p...


J Med Chem 59: 1176-83 (2016)


BindingDB Entry DOI: 10.7270/Q2SF2Z11
More data for this
Ligand-Target Pair
Histone-arginine methyltransferase CARM1


(Homo sapiens (Human))
BDBM50158095
PNG
(CHEMBL3780444)
Show SMILES CNCCN(C)C
Show InChI InChI=1S/C5H14N2/c1-6-4-5-7(2)3/h6H,4-5H2,1-3H3
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n/an/a 3.00E+3n/an/an/an/an/an/a



University of Toronto

Curated by ChEMBL


Assay Description
Inhibition of human PRMT4 using 24 residues of biotin labelled histone4 substrate and tritiated 3H-S-adenosylmethionine by scintillation proximity as...


J Med Chem 59: 1176-83 (2016)


BindingDB Entry DOI: 10.7270/Q2SF2Z11
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 6


(Homo sapiens (Human))
BDBM50158095
PNG
(CHEMBL3780444)
Show SMILES CNCCN(C)C
Show InChI InChI=1S/C5H14N2/c1-6-4-5-7(2)3/h6H,4-5H2,1-3H3
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n/an/a 5.00E+3n/an/an/an/an/an/a



University of Toronto

Curated by ChEMBL


Assay Description
Inhibition of N-terminal hexa-His tagged human PRMT6 expressed in Sf9 cells using 24 residues of biotin labelled histone4 substrate and tritiated 3H-...


J Med Chem 59: 1176-83 (2016)


BindingDB Entry DOI: 10.7270/Q2SF2Z11
More data for this
Ligand-Target Pair
Protein arginine methyltransferase 8 (PRMT8)


(Homo sapiens (Human))
BDBM50158095
PNG
(CHEMBL3780444)
Show SMILES CNCCN(C)C
Show InChI InChI=1S/C5H14N2/c1-6-4-5-7(2)3/h6H,4-5H2,1-3H3
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n/an/a 7.00E+3n/an/an/an/an/an/a



University of Toronto

Curated by ChEMBL


Assay Description
Inhibition of human PRMT8 using 24 residues of biotin labelled histone4 substrate and tritiated 3H-S-adenosylmethionine by scintillation proximity as...


J Med Chem 59: 1176-83 (2016)


BindingDB Entry DOI: 10.7270/Q2SF2Z11
More data for this
Ligand-Target Pair
Protein-arginine N-methyltransferase 1


(Homo sapiens (Human))
BDBM50158094
PNG
(CHEMBL3780926)
Show SMILES NCCN1CCC(Cc2ccccc2)CC1
Show InChI InChI=1S/C14H22N2/c15-8-11-16-9-6-14(7-10-16)12-13-4-2-1-3-5-13/h1-5,14H,6-12,15H2
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University of Toronto

Curated by ChEMBL


Assay Description
Inhibition of human PRMT1 using 24 residues of biotin labelled histone4 substrate and tritiated 3H-S-adenosylmethionine by scintillation proximity as...


J Med Chem 59: 1176-83 (2016)


BindingDB Entry DOI: 10.7270/Q2SF2Z11
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 8


(Homo sapiens (Human))
BDBM50158097
PNG
(CHEMBL3780701)
Show SMILES CNCCN1CCC(C)CC1
Show InChI InChI=1S/C9H20N2/c1-9-3-6-11(7-4-9)8-5-10-2/h9-10H,3-8H2,1-2H3
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n/an/a 1.50E+4n/an/an/an/an/an/a



University of Toronto

Curated by ChEMBL


Assay Description
Inhibition of human PRMT8 using 24 residues of biotin labelled histone4 substrate and tritiated 3H-S-adenosylmethionine by scintillation proximity as...


J Med Chem 59: 1176-83 (2016)


BindingDB Entry DOI: 10.7270/Q2SF2Z11
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 3


(Homo sapiens (Human))
BDBM50158094
PNG
(CHEMBL3780926)
Show SMILES NCCN1CCC(Cc2ccccc2)CC1
Show InChI InChI=1S/C14H22N2/c15-8-11-16-9-6-14(7-10-16)12-13-4-2-1-3-5-13/h1-5,14H,6-12,15H2
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n/an/a 1.90E+4n/an/an/an/an/an/a



University of Toronto

Curated by ChEMBL


Assay Description
Inhibition of human PRMT3 using 24 residues of biotin labelled histone4 substrate and tritiated 3H-S-adenosylmethionine by scintillation proximity as...


J Med Chem 59: 1176-83 (2016)


BindingDB Entry DOI: 10.7270/Q2SF2Z11
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 6


(Homo sapiens (Human))
BDBM50158094
PNG
(CHEMBL3780926)
Show SMILES NCCN1CCC(Cc2ccccc2)CC1
Show InChI InChI=1S/C14H22N2/c15-8-11-16-9-6-14(7-10-16)12-13-4-2-1-3-5-13/h1-5,14H,6-12,15H2
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n/an/a 2.10E+4n/an/an/an/an/an/a



University of Toronto

Curated by ChEMBL


Assay Description
Inhibition of FLAG-tagged human PRMT6 expressed in HEK293 cells assessed as reduction in H3R2 global methylation incubated for 20 hrs by Western blot...


J Med Chem 59: 1176-83 (2016)


BindingDB Entry DOI: 10.7270/Q2SF2Z11
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Protein arginine N-methyltransferase 6


(Homo sapiens (Human))
BDBM50145918
PNG
(CHEMBL3763993)
Show SMILES CN1CCCN(Cc2ccc(CN)cc2)CC1
Show InChI InChI=1S/C14H23N3/c1-16-7-2-8-17(10-9-16)12-14-5-3-13(11-15)4-6-14/h3-6H,2,7-12,15H2,1H3
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n/an/a 2.40E+4n/an/an/an/an/an/a



University of Toronto

Curated by ChEMBL


Assay Description
Inhibition of N-terminal hexa-His tagged human PRMT6 expressed in Sf9 cells using 24 residues of biotin labelled histone4 substrate and tritiated 3H-...


J Med Chem 59: 1176-83 (2016)


BindingDB Entry DOI: 10.7270/Q2SF2Z11
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 3


(Homo sapiens (Human))
BDBM50158095
PNG
(CHEMBL3780444)
Show SMILES CNCCN(C)C
Show InChI InChI=1S/C5H14N2/c1-6-4-5-7(2)3/h6H,4-5H2,1-3H3
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n/an/a 3.50E+4n/an/an/an/an/an/a



University of Toronto

Curated by ChEMBL


Assay Description
Inhibition of human PRMT3 using 24 residues of biotin labelled histone4 substrate and tritiated 3H-S-adenosylmethionine by scintillation proximity as...


J Med Chem 59: 1176-83 (2016)


BindingDB Entry DOI: 10.7270/Q2SF2Z11
More data for this
Ligand-Target Pair
Protein-arginine N-methyltransferase 1


(Homo sapiens (Human))
BDBM50158095
PNG
(CHEMBL3780444)
Show SMILES CNCCN(C)C
Show InChI InChI=1S/C5H14N2/c1-6-4-5-7(2)3/h6H,4-5H2,1-3H3
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n/an/a 3.90E+4n/an/an/an/an/an/a



University of Toronto

Curated by ChEMBL


Assay Description
Inhibition of human PRMT1 using 24 residues of biotin labelled histone4 substrate and tritiated 3H-S-adenosylmethionine by scintillation proximity as...


J Med Chem 59: 1176-83 (2016)


BindingDB Entry DOI: 10.7270/Q2SF2Z11
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 6


(Homo sapiens (Human))
BDBM50158369
PNG
(CHEMBL3781561)
Show SMILES Cc1nc(N)sc1-n1ccc(n1)C(F)(F)F
Show InChI InChI=1S/C8H7F3N4S/c1-4-6(16-7(12)13-4)15-3-2-5(14-15)8(9,10)11/h2-3H,1H3,(H2,12,13)
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n/an/a 4.60E+4n/an/an/an/an/an/a



University of Toronto

Curated by ChEMBL


Assay Description
Inhibition of N-terminal hexa-His tagged human PRMT6 expressed in Sf9 cells using 24 residues of biotin labelled histone4 substrate and tritiated 3H-...


J Med Chem 59: 1176-83 (2016)


BindingDB Entry DOI: 10.7270/Q2SF2Z11
More data for this
Ligand-Target Pair
Protein-arginine N-methyltransferase 1


(Homo sapiens (Human))
BDBM50158097
PNG
(CHEMBL3780701)
Show SMILES CNCCN1CCC(C)CC1
Show InChI InChI=1S/C9H20N2/c1-9-3-6-11(7-4-9)8-5-10-2/h9-10H,3-8H2,1-2H3
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n/an/a 4.80E+4n/an/an/an/an/an/a



University of Toronto

Curated by ChEMBL


Assay Description
Inhibition of human PRMT1 using 24 residues of biotin labelled histone4 substrate and tritiated 3H-S-adenosylmethionine by scintillation proximity as...


J Med Chem 59: 1176-83 (2016)


BindingDB Entry DOI: 10.7270/Q2SF2Z11
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 6


(Homo sapiens (Human))
BDBM50158371
PNG
(CHEMBL3780738)
Show SMILES CNCc1cccc(c1)-c1ccsc1
Show InChI InChI=1S/C12H13NS/c1-13-8-10-3-2-4-11(7-10)12-5-6-14-9-12/h2-7,9,13H,8H2,1H3
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n/an/a 6.90E+4n/an/an/an/an/an/a



University of Toronto

Curated by ChEMBL


Assay Description
Inhibition of N-terminal hexa-His tagged human PRMT6 expressed in Sf9 cells using 24 residues of biotin labelled histone4 substrate and tritiated 3H-...


J Med Chem 59: 1176-83 (2016)


BindingDB Entry DOI: 10.7270/Q2SF2Z11
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 6


(Homo sapiens (Human))
BDBM50158372
PNG
(CHEMBL3779956)
Show SMILES CN(C)Cc1ccc(CSCCN)o1
Show InChI InChI=1S/C10H18N2OS/c1-12(2)7-9-3-4-10(13-9)8-14-6-5-11/h3-4H,5-8,11H2,1-2H3
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n/an/a 7.20E+4n/an/an/an/an/an/a



University of Toronto

Curated by ChEMBL


Assay Description
Inhibition of N-terminal hexa-His tagged human PRMT6 expressed in Sf9 cells using 24 residues of biotin labelled histone4 substrate and tritiated 3H-...


J Med Chem 59: 1176-83 (2016)


BindingDB Entry DOI: 10.7270/Q2SF2Z11
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 6


(Homo sapiens (Human))
BDBM50158085
PNG
(CHEMBL3781201)
Show SMILES CNCc1ccc(C)s1
Show InChI InChI=1S/C7H11NS/c1-6-3-4-7(9-6)5-8-2/h3-4,8H,5H2,1-2H3
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n/an/a 9.90E+4n/an/an/an/an/an/a



University of Toronto

Curated by ChEMBL


Assay Description
Inhibition of N-terminal hexa-His tagged human PRMT6 expressed in Sf9 cells using 24 residues of biotin labelled histone4 substrate and tritiated 3H-...


J Med Chem 59: 1176-83 (2016)


BindingDB Entry DOI: 10.7270/Q2SF2Z11
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 6


(Homo sapiens (Human))
BDBM50158084
PNG
(CHEMBL3780979)
Show SMILES CNCc1cccc(c1)-c1ccncc1
Show InChI InChI=1S/C13H14N2/c1-14-10-11-3-2-4-13(9-11)12-5-7-15-8-6-12/h2-9,14H,10H2,1H3
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n/an/a 1.00E+5n/an/an/an/an/an/a



University of Toronto

Curated by ChEMBL


Assay Description
Inhibition of N-terminal hexa-His tagged human PRMT6 expressed in Sf9 cells using 24 residues of biotin labelled histone4 substrate and tritiated 3H-...


J Med Chem 59: 1176-83 (2016)


BindingDB Entry DOI: 10.7270/Q2SF2Z11
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 6


(Homo sapiens (Human))
BDBM50068109
PNG
(CHEMBL3402235)
Show SMILES CNCc1cccc(c1)-c1cccnc1
Show InChI InChI=1S/C13H14N2/c1-14-9-11-4-2-5-12(8-11)13-6-3-7-15-10-13/h2-8,10,14H,9H2,1H3
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n/an/a 1.04E+5n/an/an/an/an/an/a



University of Toronto

Curated by ChEMBL


Assay Description
Inhibition of N-terminal hexa-His tagged human PRMT6 expressed in Sf9 cells using 24 residues of biotin labelled histone4 substrate and tritiated 3H-...


J Med Chem 59: 1176-83 (2016)


BindingDB Entry DOI: 10.7270/Q2SF2Z11
More data for this
Ligand-Target Pair
Histone-arginine methyltransferase CARM1


(Homo sapiens (Human))
BDBM50158087
PNG
(CHEMBL3781841)
Show SMILES CCNC(=O)[C@@H](C)N |r|
Show InChI InChI=1/C5H12N2O/c1-3-7-5(8)4(2)6/h4H,3,6H2,1-2H3,(H,7,8)/t4-/s2
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n/an/a 1.05E+5n/an/an/an/an/an/a



University of Toronto

Curated by ChEMBL


Assay Description
Inhibition of CARM1 (unknown origin) using 24 residues of biotin labelled histone4 substrate and tritiated 3H-S-adenosylmethionine by scintillation p...


J Med Chem 59: 1176-83 (2016)


BindingDB Entry DOI: 10.7270/Q2SF2Z11
More data for this
Ligand-Target Pair
Histone-arginine methyltransferase CARM1


(Homo sapiens (Human))
BDBM50158087
PNG
(CHEMBL3781841)
Show SMILES CCNC(=O)[C@@H](C)N |r|
Show InChI InChI=1/C5H12N2O/c1-3-7-5(8)4(2)6/h4H,3,6H2,1-2H3,(H,7,8)/t4-/s2
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n/an/a 1.05E+5n/an/an/an/an/an/a



University of Toronto

Curated by ChEMBL


Assay Description
Inhibition of human PRMT4 using 24 residues of biotin labelled histone4 substrate and tritiated 3H-S-adenosylmethionine by scintillation proximity as...


J Med Chem 59: 1176-83 (2016)


BindingDB Entry DOI: 10.7270/Q2SF2Z11
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 6


(Homo sapiens (Human))
BDBM50158370
PNG
(CHEMBL3780615)
Show SMILES CNCc1cccc(c1)-c1cccs1
Show InChI InChI=1S/C12H13NS/c1-13-9-10-4-2-5-11(8-10)12-6-3-7-14-12/h2-8,13H,9H2,1H3
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n/an/a 1.25E+5n/an/an/an/an/an/a



University of Toronto

Curated by ChEMBL


Assay Description
Inhibition of N-terminal hexa-His tagged human PRMT6 expressed in Sf9 cells using 24 residues of biotin labelled histone4 substrate and tritiated 3H-...


J Med Chem 59: 1176-83 (2016)


BindingDB Entry DOI: 10.7270/Q2SF2Z11
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 6


(Homo sapiens (Human))
BDBM50158391
PNG
(CHEMBL3781682)
Show SMILES CNCc1cccc(c1)-c1csc(C)n1
Show InChI InChI=1S/C12H14N2S/c1-9-14-12(8-15-9)11-5-3-4-10(6-11)7-13-2/h3-6,8,13H,7H2,1-2H3
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n/an/a 1.36E+5n/an/an/an/an/an/a



University of Toronto

Curated by ChEMBL


Assay Description
Inhibition of N-terminal hexa-His tagged human PRMT6 expressed in Sf9 cells using 24 residues of biotin labelled histone4 substrate and tritiated 3H-...


J Med Chem 59: 1176-83 (2016)


BindingDB Entry DOI: 10.7270/Q2SF2Z11
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 6


(Homo sapiens (Human))
BDBM50158389
PNG
(CHEMBL3781603)
Show SMILES CNCc1cccc(c1)-c1ccco1
Show InChI InChI=1S/C12H13NO/c1-13-9-10-4-2-5-11(8-10)12-6-3-7-14-12/h2-8,13H,9H2,1H3
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n/an/a 1.46E+5n/an/an/an/an/an/a



University of Toronto

Curated by ChEMBL


Assay Description
Inhibition of N-terminal hexa-His tagged human PRMT6 expressed in Sf9 cells using 24 residues of biotin labelled histone4 substrate and tritiated 3H-...


J Med Chem 59: 1176-83 (2016)


BindingDB Entry DOI: 10.7270/Q2SF2Z11
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 6


(Homo sapiens (Human))
BDBM50158377
PNG
(CHEMBL3781043)
Show SMILES CNCc1cccc(c1)N1CCCCC1
Show InChI InChI=1S/C13H20N2/c1-14-11-12-6-5-7-13(10-12)15-8-3-2-4-9-15/h5-7,10,14H,2-4,8-9,11H2,1H3
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n/an/a 1.70E+5n/an/an/an/an/an/a



University of Toronto

Curated by ChEMBL


Assay Description
Inhibition of N-terminal hexa-His tagged human PRMT6 expressed in Sf9 cells using 24 residues of biotin labelled histone4 substrate and tritiated 3H-...


J Med Chem 59: 1176-83 (2016)


BindingDB Entry DOI: 10.7270/Q2SF2Z11
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 8


(Homo sapiens (Human))
BDBM50158087
PNG
(CHEMBL3781841)
Show SMILES CCNC(=O)[C@@H](C)N |r|
Show InChI InChI=1/C5H12N2O/c1-3-7-5(8)4(2)6/h4H,3,6H2,1-2H3,(H,7,8)/t4-/s2
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n/an/a>2.00E+5n/an/an/an/an/an/a



University of Toronto

Curated by ChEMBL


Assay Description
Inhibition of human PRMT8 using 24 residues of biotin labelled histone4 substrate and tritiated 3H-S-adenosylmethionine by scintillation proximity as...


J Med Chem 59: 1176-83 (2016)


BindingDB Entry DOI: 10.7270/Q2SF2Z11
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 6


(Homo sapiens (Human))
BDBM50158087
PNG
(CHEMBL3781841)
Show SMILES CCNC(=O)[C@@H](C)N |r|
Show InChI InChI=1/C5H12N2O/c1-3-7-5(8)4(2)6/h4H,3,6H2,1-2H3,(H,7,8)/t4-/s2
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University of Toronto

Curated by ChEMBL


Assay Description
Inhibition of N-terminal hexa-His tagged human PRMT6 expressed in Sf9 cells using 24 residues of biotin labelled histone4 substrate and tritiated 3H-...


J Med Chem 59: 1176-83 (2016)


BindingDB Entry DOI: 10.7270/Q2SF2Z11
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 6


(Homo sapiens (Human))
BDBM50158373
PNG
(CHEMBL3781266)
Show SMILES NCc1cccc(CN2CCCC2)c1
Show InChI InChI=1S/C12H18N2/c13-9-11-4-3-5-12(8-11)10-14-6-1-2-7-14/h3-5,8H,1-2,6-7,9-10,13H2
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n/an/a 3.60E+5n/an/an/an/an/an/a



University of Toronto

Curated by ChEMBL


Assay Description
Inhibition of N-terminal hexa-His tagged human PRMT6 expressed in Sf9 cells using 24 residues of biotin labelled histone4 substrate and tritiated 3H-...


J Med Chem 59: 1176-83 (2016)


BindingDB Entry DOI: 10.7270/Q2SF2Z11
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 6


(Homo sapiens (Human))
BDBM50027796
PNG
(2-(Sulfanilylamino)thiazole | 2-(p-Aminobenzenesul...)
Show SMILES Nc1ccc(cc1)S(=O)(=O)Nc1nccs1
Show InChI InChI=1S/C9H9N3O2S2/c10-7-1-3-8(4-2-7)16(13,14)12-9-11-5-6-15-9/h1-6H,10H2,(H,11,12)
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n/an/a 4.30E+5n/an/an/an/an/an/a



University of Toronto

Curated by ChEMBL


Assay Description
Inhibition of N-terminal hexa-His tagged human PRMT6 expressed in Sf9 cells using 24 residues of biotin labelled histone4 substrate and tritiated 3H-...


J Med Chem 59: 1176-83 (2016)


BindingDB Entry DOI: 10.7270/Q2SF2Z11
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 3


(Homo sapiens (Human))
BDBM50158097
PNG
(CHEMBL3780701)
Show SMILES CNCCN1CCC(C)CC1
Show InChI InChI=1S/C9H20N2/c1-9-3-6-11(7-4-9)8-5-10-2/h9-10H,3-8H2,1-2H3
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n/an/a>5.00E+5n/an/an/an/an/an/a



University of Toronto

Curated by ChEMBL


Assay Description
Inhibition of human PRMT3 using 24 residues of biotin labelled histone4 substrate and tritiated 3H-S-adenosylmethionine by scintillation proximity as...


J Med Chem 59: 1176-83 (2016)


BindingDB Entry DOI: 10.7270/Q2SF2Z11
More data for this
Ligand-Target Pair
Protein arginine methyltransferase 3 (PRMT3)


(Homo sapiens (Human))
BDBM50158087
PNG
(CHEMBL3781841)
Show SMILES CCNC(=O)[C@@H](C)N |r|
Show InChI InChI=1/C5H12N2O/c1-3-7-5(8)4(2)6/h4H,3,6H2,1-2H3,(H,7,8)/t4-/s2
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University of Toronto

Curated by ChEMBL


Assay Description
Inhibition of human PRMT3 using 24 residues of biotin labelled histone4 substrate and tritiated 3H-S-adenosylmethionine by scintillation proximity as...


J Med Chem 59: 1176-83 (2016)


BindingDB Entry DOI: 10.7270/Q2SF2Z11
More data for this
Ligand-Target Pair
Protein-arginine N-methyltransferase 1


(Homo sapiens (Human))
BDBM50158087
PNG
(CHEMBL3781841)
Show SMILES CCNC(=O)[C@@H](C)N |r|
Show InChI InChI=1/C5H12N2O/c1-3-7-5(8)4(2)6/h4H,3,6H2,1-2H3,(H,7,8)/t4-/s2
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University of Toronto

Curated by ChEMBL


Assay Description
Inhibition of human PRMT1 using 24 residues of biotin labelled histone4 substrate and tritiated 3H-S-adenosylmethionine by scintillation proximity as...


J Med Chem 59: 1176-83 (2016)


BindingDB Entry DOI: 10.7270/Q2SF2Z11
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 6


(Homo sapiens (Human))
BDBM50158094
PNG
(CHEMBL3780926)
Show SMILES NCCN1CCC(Cc2ccccc2)CC1
Show InChI InChI=1S/C14H22N2/c15-8-11-16-9-6-14(7-10-16)12-13-4-2-1-3-5-13/h1-5,14H,6-12,15H2
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n/an/an/a 970n/an/an/an/an/a



University of Toronto

Curated by ChEMBL


Assay Description
Binding affinity to Inhibition of N-terminal hexa-His tagged human PRMT6 expressed in Sf9 cells by ITC method


J Med Chem 59: 1176-83 (2016)


BindingDB Entry DOI: 10.7270/Q2SF2Z11
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)