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Compile Data Set for Download or QSAR

Found 2409 hits Enz. Inhib. hit(s) with Target = 'Protein arginine methyltransferase 4 (PRMT4)'   
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))		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
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
Histone-arginine methyltransferase CARM1


(Homo sapiens (Human))		BDBM50009672
PNG
(AdoHcy | CHEMBL418052 | S-(5'-adenosyl)-L-homocyst...)
Show SMILES N[C@@H](CCSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)C(O)=O
Show InChI InChI=1S/C14H20N6O5S/c15-6(14(23)24)1-2-26-3-7-9(21)10(22)13(25-7)20-5-19-8-11(16)17-4-18-12(8)20/h4-7,9-10,13,21-22H,1-3,15H2,(H,23,24)(H2,16,17,18)/t6-,7+,9+,10+,13+/m0/s1
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 400n/an/an/an/an/an/an/an/a



Baylor College of Medicine

Curated by ChEMBL


Assay Description
Inhibition of CARM1 (unknown origin)

J Med Chem 56: 8972-83 (2013)


Article DOI: 10.1021/jm4007752
BindingDB Entry DOI: 10.7270/Q2D50PDQ
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Histone-arginine methyltransferase CARM1


(Homo sapiens (Human))		BDBM50009672
PNG
(AdoHcy | CHEMBL418052 | S-(5'-adenosyl)-L-homocyst...)
Show SMILES N[C@@H](CCSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)C(O)=O
Show InChI InChI=1S/C14H20N6O5S/c15-6(14(23)24)1-2-26-3-7-9(21)10(22)13(25-7)20-5-19-8-11(16)17-4-18-12(8)20/h4-7,9-10,13,21-22H,1-3,15H2,(H,23,24)(H2,16,17,18)/t6-,7+,9+,10+,13+/m0/s1
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 860n/an/an/an/an/an/an/an/a



Baylor College of Medicine

Curated by ChEMBL


Assay Description
Inhibition of CARM1

J Med Chem 55: 8066-74 (2012)


Article DOI: 10.1021/jm300917h
BindingDB Entry DOI: 10.7270/Q2TD9ZGG
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Histone-arginine methyltransferase CARM1


(Homo sapiens (Human))		BDBM50396981
PNG
(CHEMBL2171174)
Show SMILES CNc1ncnc2n(cnc12)[C@@H]1O[C@H](CSCC[C@H](N)C(O)=O)[C@@H](O)[C@H]1O |r|
Show InChI InChI=1S/C15H22N6O5S/c1-17-12-9-13(19-5-18-12)21(6-20-9)14-11(23)10(22)8(26-14)4-27-3-2-7(16)15(24)25/h5-8,10-11,14,22-23H,2-4,16H2,1H3,(H,24,25)(H,17,18,19)/t7-,8+,10+,11+,14+/m0/s1
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>2.00E+4n/an/an/an/an/an/an/an/a



Icahn School of Medicine at Mount Sinai

Curated by ChEMBL


Assay Description
Competitive inhibition of human CARM1 using oligo-nucleosome as substrate preincubated for 10 mins followed by substrate addition measured after 30 m...

J Med Chem 58: 1596-629 (2015)


Article DOI: 10.1021/jm501234a
BindingDB Entry DOI: 10.7270/Q28K7BS2
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
Histone-arginine methyltransferase CARM1


(Homo sapiens (Human))		BDBM50396980
PNG
(CHEMBL2171169)
Show SMILES CC(C)N(CCCNC(=O)Nc1ccc(cc1)C(C)(C)C)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r|
Show InChI InChI=1S/C27H40N8O4/c1-16(2)34(12-6-11-29-26(38)33-18-9-7-17(8-10-18)27(3,4)5)13-19-21(36)22(37)25(39-19)35-15-32-20-23(28)30-14-31-24(20)35/h7-10,14-16,19,21-22,25,36-37H,6,11-13H2,1-5H3,(H2,28,30,31)(H2,29,33,38)/t19-,21-,22-,25-/m1/s1
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>5.00E+4n/an/an/an/an/an/an/an/a



Baylor College of Medicine

Curated by ChEMBL


Assay Description
Inhibition of CARM1 (unknown origin)

Medchemcomm 4: 822-826 (2013)


Article DOI: 10.1039/c3md00021d
BindingDB Entry DOI: 10.7270/Q2R49TR1
More data for this
Ligand-Target Pair
Histone-arginine methyltransferase CARM1


(Homo sapiens (Human))		BDBM50443018
PNG
(CHEMBL3087503)
Show SMILES CC(C)N(CCCNC(=O)Nc1ccc(cc1)C(C)(C)C)C[C@H]1C[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r|
Show InChI InChI=1S/C28H42N8O3/c1-17(2)35(12-6-11-30-27(39)34-20-9-7-19(8-10-20)28(3,4)5)14-18-13-21(24(38)23(18)37)36-16-33-22-25(29)31-15-32-26(22)36/h7-10,15-18,21,23-24,37-38H,6,11-14H2,1-5H3,(H2,29,31,32)(H2,30,34,39)/t18-,21-,23-,24+/m1/s1
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Baylor College of Medicine

Curated by ChEMBL


Assay Description
Inhibition of CARM1 (unknown origin)

Medchemcomm 4: 822-826 (2013)


Article DOI: 10.1039/c3md00021d
BindingDB Entry DOI: 10.7270/Q2R49TR1
More data for this
Ligand-Target Pair
Histone-arginine methyltransferase CARM1


(Homo sapiens (Human))		BDBM50443020
PNG
(CHEMBL3087501)
Show SMILES CC(C)N(CCCNC(=O)Nc1ccc(cc1)C(C)(C)C)C[C@@H]1C[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r|
Show InChI InChI=1S/C28H42N8O3/c1-17(2)35(12-6-11-30-27(39)34-20-9-7-19(8-10-20)28(3,4)5)14-18-13-21(24(38)23(18)37)36-16-33-22-25(29)31-15-32-26(22)36/h7-10,15-18,21,23-24,37-38H,6,11-14H2,1-5H3,(H2,29,31,32)(H2,30,34,39)/t18-,21+,23+,24-/m0/s1
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Baylor College of Medicine

Curated by ChEMBL


Assay Description
Inhibition of CARM1 (unknown origin)

Medchemcomm 4: 822-826 (2013)


Article DOI: 10.1039/c3md00021d
BindingDB Entry DOI: 10.7270/Q2R49TR1
More data for this
Ligand-Target Pair
Histone-arginine methyltransferase CARM1


(Homo sapiens (Human))		BDBM50443019
PNG
(CHEMBL3087502)
Show SMILES CC(C)N(CCCNC(=O)Nc1ccc(cc1)C(C)(C)C)CC1=C[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r,t:23|
Show InChI InChI=1S/C28H40N8O3/c1-17(2)35(12-6-11-30-27(39)34-20-9-7-19(8-10-20)28(3,4)5)14-18-13-21(24(38)23(18)37)36-16-33-22-25(29)31-15-32-26(22)36/h7-10,13,15-17,21,23-24,37-38H,6,11-12,14H2,1-5H3,(H2,29,31,32)(H2,30,34,39)/t21-,23-,24+/m1/s1
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Baylor College of Medicine

Curated by ChEMBL


Assay Description
Inhibition of CARM1 (unknown origin)

Medchemcomm 4: 822-826 (2013)


Article DOI: 10.1039/c3md00021d
BindingDB Entry DOI: 10.7270/Q2R49TR1
More data for this
Ligand-Target Pair
Histone-arginine methyltransferase CARM1


(Homo sapiens (Human))		BDBM50396977
PNG
(CHEMBL2171172)
Show SMILES CC(C)N(CCCNC(=O)Nc1ccc(cc1)C(C)(C)C)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3ccccc3)ncnc12 |r|
Show InChI InChI=1S/C34H46N8O4/c1-22(2)41(17-9-16-35-33(45)40-25-14-12-24(13-15-25)34(3,4)5)19-26-28(43)29(44)32(46-26)42-21-39-27-30(37-20-38-31(27)42)36-18-23-10-7-6-8-11-23/h6-8,10-15,20-22,26,28-29,32,43-44H,9,16-19H2,1-5H3,(H2,35,40,45)(H,36,37,38)/t26-,28-,29-,32-/m1/s1
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>1.00E+5n/an/an/an/an/an/an/an/a



Baylor College of Medicine

Curated by ChEMBL


Assay Description
Inhibition of CARM1

J Med Chem 55: 8066-74 (2012)


Article DOI: 10.1021/jm300917h
BindingDB Entry DOI: 10.7270/Q2TD9ZGG
More data for this
Ligand-Target Pair
Histone-arginine methyltransferase CARM1


(Homo sapiens (Human))		BDBM50396978
PNG
(CHEMBL2171171)
Show SMILES CC(C)N(CCCNC(=O)Nc1ccc(cc1)C(C)(C)C)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCC=C)ncnc12 |r|
Show InChI InChI=1S/C30H44N8O4/c1-7-13-31-26-23-27(34-17-33-26)38(18-35-23)28-25(40)24(39)22(42-28)16-37(19(2)3)15-8-14-32-29(41)36-21-11-9-20(10-12-21)30(4,5)6/h7,9-12,17-19,22,24-25,28,39-40H,1,8,13-16H2,2-6H3,(H,31,33,34)(H2,32,36,41)/t22-,24-,25-,28-/m1/s1
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>1.00E+5n/an/an/an/an/an/an/an/a



Baylor College of Medicine

Curated by ChEMBL


Assay Description
Inhibition of CARM1

J Med Chem 55: 8066-74 (2012)


Article DOI: 10.1021/jm300917h
BindingDB Entry DOI: 10.7270/Q2TD9ZGG
More data for this
Ligand-Target Pair
Histone-arginine methyltransferase CARM1


(Homo sapiens (Human))		BDBM50396981
PNG
(CHEMBL2171174)
Show SMILES CNc1ncnc2n(cnc12)[C@@H]1O[C@H](CSCC[C@H](N)C(O)=O)[C@@H](O)[C@H]1O |r|
Show InChI InChI=1S/C15H22N6O5S/c1-17-12-9-13(19-5-18-12)21(6-20-9)14-11(23)10(22)8(26-14)4-27-3-2-7(16)15(24)25/h5-8,10-11,14,22-23H,2-4,16H2,1H3,(H,24,25)(H,17,18,19)/t7-,8+,10+,11+,14+/m0/s1
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Baylor College of Medicine

Curated by ChEMBL


Assay Description
Inhibition of CARM1

J Med Chem 55: 8066-74 (2012)


Article DOI: 10.1021/jm300917h
BindingDB Entry DOI: 10.7270/Q2TD9ZGG
More data for this
Ligand-Target Pair
Histone-arginine methyltransferase CARM1


(Homo sapiens (Human))		BDBM50396980
PNG
(CHEMBL2171169)
Show SMILES CC(C)N(CCCNC(=O)Nc1ccc(cc1)C(C)(C)C)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r|
Show InChI InChI=1S/C27H40N8O4/c1-16(2)34(12-6-11-29-26(38)33-18-9-7-17(8-10-18)27(3,4)5)13-19-21(36)22(37)25(39-19)35-15-32-20-23(28)30-14-31-24(20)35/h7-10,14-16,19,21-22,25,36-37H,6,11-13H2,1-5H3,(H2,28,30,31)(H2,29,33,38)/t19-,21-,22-,25-/m1/s1
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Baylor College of Medicine

Curated by ChEMBL


Assay Description
Inhibition of CARM1

J Med Chem 55: 8066-74 (2012)


Article DOI: 10.1021/jm300917h
BindingDB Entry DOI: 10.7270/Q2TD9ZGG
More data for this
Ligand-Target Pair
Histone-arginine methyltransferase CARM1


(Homo sapiens (Human))		BDBM50396979
PNG
(CHEMBL2171170)
Show SMILES CNc1ncnc2n(cnc12)[C@@H]1O[C@H](CN(CCCNC(=O)Nc2ccc(cc2)C(C)(C)C)C(C)C)[C@@H](O)[C@H]1O |r|
Show InChI InChI=1S/C28H42N8O4/c1-17(2)35(13-7-12-30-27(39)34-19-10-8-18(9-11-19)28(3,4)5)14-20-22(37)23(38)26(40-20)36-16-33-21-24(29-6)31-15-32-25(21)36/h8-11,15-17,20,22-23,26,37-38H,7,12-14H2,1-6H3,(H,29,31,32)(H2,30,34,39)/t20-,22-,23-,26-/m1/s1
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Baylor College of Medicine

Curated by ChEMBL


Assay Description
Inhibition of CARM1

J Med Chem 55: 8066-74 (2012)


Article DOI: 10.1021/jm300917h
BindingDB Entry DOI: 10.7270/Q2TD9ZGG
More data for this
Ligand-Target Pair
Histone-arginine methyltransferase CARM1


(Homo sapiens (Human))		BDBM50258790
PNG
((S)-2-amino-N-(3-(5-(5-(benzo[d]thiazol-7-yl)-1,3,...)
Show SMILES C[C@H](N)C(=O)NCc1cccc(c1)-n1nc(cc1-c1nnc(o1)-c1cccc2ncsc12)C(F)(F)F |r|
Show InChI InChI=1S/C23H18F3N7O2S/c1-12(27)20(34)28-10-13-4-2-5-14(8-13)33-17(9-18(32-33)23(24,25)26)22-31-30-21(35-22)15-6-3-7-16-19(15)36-11-29-16/h2-9,11-12H,10,27H2,1H3,(H,28,34)/t12-/m0/s1
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n/an/a 0.0400n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human CARM1 assessed as inhibition of histone3 methylation

Bioorg Med Chem Lett 19: 5063-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.040
BindingDB Entry DOI: 10.7270/Q2KW5G3W
More data for this
Ligand-Target Pair
Histone-arginine methyltransferase CARM1


(Homo sapiens (Human))		BDBM50301077
PNG
(2-(4-(2-(2,6-dimethoxyphenyl)-7-methyl-1H-benzo[d]...)
Show SMILES CNCCN1CCC(CC1)c1cc(C)c2nc([nH]c2c1)-c1c(OC)cccc1OC
Show InChI InChI=1S/C24H32N4O2/c1-16-14-18(17-8-11-28(12-9-17)13-10-25-2)15-19-23(16)27-24(26-19)22-20(29-3)6-5-7-21(22)30-4/h5-7,14-15,17,25H,8-13H2,1-4H3,(H,26,27)
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n/an/a 0.0700n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human CARM1 assessed as inhibition of histone3 methylation

Bioorg Med Chem Lett 19: 5063-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.040
BindingDB Entry DOI: 10.7270/Q2KW5G3W
More data for this
Ligand-Target Pair
Histone-arginine methyltransferase CARM1


(Homo sapiens (Human))		BDBM50301079
PNG
(2-(4-(2-(2-fluoro-6-methoxyphenyl)-7-methyl-1H-ben...)
Show SMILES CNCCN1CCC(CC1)c1cc(C)c2nc([nH]c2c1)-c1c(F)cccc1OC
Show InChI InChI=1S/C23H29FN4O/c1-15-13-17(16-7-10-28(11-8-16)12-9-25-2)14-19-22(15)27-23(26-19)21-18(24)5-4-6-20(21)29-3/h4-6,13-14,16,25H,7-12H2,1-3H3,(H,26,27)
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n/an/a 0.120n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human CARM1 assessed as inhibition of histone3 methylation

Bioorg Med Chem Lett 19: 5063-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.040
BindingDB Entry DOI: 10.7270/Q2KW5G3W
More data for this
Ligand-Target Pair
Histone-arginine methyltransferase CARM1


(Homo sapiens (Human))		BDBM50301078
PNG
(2-(4-(2-(4-fluoro-2-methoxyphenyl)-7-methyl-1H-ben...)
Show SMILES CNCCN1CCC(CC1)c1cc(C)c2nc([nH]c2c1)-c1ccc(F)cc1OC
Show InChI InChI=1S/C23H29FN4O/c1-15-12-17(16-6-9-28(10-7-16)11-8-25-2)13-20-22(15)27-23(26-20)19-5-4-18(24)14-21(19)29-3/h4-5,12-14,16,25H,6-11H2,1-3H3,(H,26,27)
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n/an/a 0.260n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human CARM1 assessed as inhibition of histone3 methylation

Bioorg Med Chem Lett 19: 5063-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.040
BindingDB Entry DOI: 10.7270/Q2KW5G3W
More data for this
Ligand-Target Pair
Histone-arginine methyltransferase CARM1


(Homo sapiens (Human))		BDBM50301076
PNG
(2-(4-(2-(2-methoxyphenyl)-4-methyl-1H-benzo[d]imid...)
Show SMILES CNCCN1CCC(CC1)c1cc(C)c2nc([nH]c2c1)-c1ccccc1OC
Show InChI InChI=1S/C23H30N4O/c1-16-14-18(17-8-11-27(12-9-17)13-10-24-2)15-20-22(16)26-23(25-20)19-6-4-5-7-21(19)28-3/h4-7,14-15,17,24H,8-13H2,1-3H3,(H,25,26)
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n/an/a 0.410n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human CARM1 assessed as inhibition of histone3 methylation

Bioorg Med Chem Lett 19: 5063-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.040
BindingDB Entry DOI: 10.7270/Q2KW5G3W
More data for this
Ligand-Target Pair
Histone-arginine methyltransferase CARM1


(Homo sapiens (Human))		CHEMBL5272699
PNG
PDB

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n/an/a 0.650n/an/an/an/an/an/a


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More data for this
Ligand-Target Pair
Histone-arginine methyltransferase CARM1


(Homo sapiens (Human))		BDBM50301075
PNG
(2-(4-(2-(2-methoxypyridin-3-yl)-3H-imidazo[4,5-b]p...)
Show SMILES CNCCN1CCC(CC1)c1cnc2nc([nH]c2c1)-c1cccnc1OC
Show InChI InChI=1S/C20H26N6O/c1-21-8-11-26-9-5-14(6-10-26)15-12-17-19(23-13-15)25-18(24-17)16-4-3-7-22-20(16)27-2/h3-4,7,12-14,21H,5-6,8-11H2,1-2H3,(H,23,24,25)
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n/an/a 0.700n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human CARM1 assessed as inhibition of histone3 methylation

Bioorg Med Chem Lett 19: 5063-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.040
BindingDB Entry DOI: 10.7270/Q2KW5G3W
More data for this
Ligand-Target Pair
Histone-arginine methyltransferase CARM1


(Homo sapiens (Human))		CHEMBL5270700
PNG
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Citation and Details
More data for this
Ligand-Target Pair
Histone-arginine methyltransferase CARM1


(Homo sapiens (Human))		BDBM50301069
PNG
(2-(4-(2-(2-methoxypyridin-3-yl)-4-methyl-1H-benzo[...)
Show SMILES CNCCN1CCC(CC1)c1cc(C)c2nc([nH]c2c1)-c1cccnc1OC
Show InChI InChI=1S/C22H29N5O/c1-15-13-17(16-6-10-27(11-7-16)12-9-23-2)14-19-20(15)26-21(25-19)18-5-4-8-24-22(18)28-3/h4-5,8,13-14,16,23H,6-7,9-12H2,1-3H3,(H,25,26)
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n/an/a 0.840n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human CARM1 assessed as inhibition of histone3 methylation

Bioorg Med Chem Lett 19: 5063-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.040
BindingDB Entry DOI: 10.7270/Q2KW5G3W
More data for this
Ligand-Target Pair
Histone-arginine methyltransferase CARM1


(Homo sapiens (Human))		CHEMBL5274219
PNG
PDB

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n/an/a 0.920n/an/an/an/an/an/a


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More data for this
Ligand-Target Pair
Histone-arginine methyltransferase CARM1


(Homo sapiens (Human))		CHEMBL5291238
PNG
PDB

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n/an/a 1.10n/an/an/an/an/an/a


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More data for this
Ligand-Target Pair
Histone-arginine methyltransferase CARM1


(Homo sapiens (Human))		CHEMBL5271782
PNG
PDB

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n/an/a 1.10n/an/an/an/an/an/a


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More data for this
Ligand-Target Pair
Histone-arginine methyltransferase CARM1


(Homo sapiens (Human))		BDBM50301073
PNG
(2-(4-(2-(2-methoxypyridin-3-yl)-1H-benzo[d]imidazo...)
Show SMILES CNCCN1CCC(CC1)c1ccc2nc([nH]c2c1)-c1cccnc1OC
Show InChI InChI=1S/C21H27N5O/c1-22-10-13-26-11-7-15(8-12-26)16-5-6-18-19(14-16)25-20(24-18)17-4-3-9-23-21(17)27-2/h3-6,9,14-15,22H,7-8,10-13H2,1-2H3,(H,24,25)
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n/an/a 1.20n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human CARM1 assessed as inhibition of histone3 methylation

Bioorg Med Chem Lett 19: 5063-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.040
BindingDB Entry DOI: 10.7270/Q2KW5G3W
More data for this
Ligand-Target Pair
Histone-arginine methyltransferase CARM1


(Homo sapiens (Human))		CHEMBL5288947
PNG
PDB

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n/an/a 1.60n/an/an/an/an/an/a


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Citation and Details
More data for this
Ligand-Target Pair
Histone-arginine methyltransferase CARM1


(Homo sapiens (Human))		CHEMBL5283756
PNG
PDB

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n/an/a 2.30n/an/an/an/an/an/a


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More data for this
Ligand-Target Pair
Histone-arginine methyltransferase CARM1


(Homo sapiens (Human))		CHEMBL5287824
PNG
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n/an/a 2.5n/an/an/an/an/an/a


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More data for this
Ligand-Target Pair
Histone-arginine methyltransferase CARM1


(Homo sapiens (Human))		CHEMBL5283866
PNG
PDB

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n/an/a 2.80n/an/an/an/an/an/a


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Citation and Details
More data for this
Ligand-Target Pair
Histone-arginine methyltransferase CARM1


(Homo sapiens (Human))		BDBM50301074
PNG
(2-(4-(2-(2-methoxypyridin-3-yl)-1-methyl-1H-benzo[...)
Show SMILES CNCCN1CCC(CC1)c1ccc2n(C)c(nc2c1)-c1cccnc1OC
Show InChI InChI=1S/C22H29N5O/c1-23-11-14-27-12-8-16(9-13-27)17-6-7-20-19(15-17)25-21(26(20)2)18-5-4-10-24-22(18)28-3/h4-7,10,15-16,23H,8-9,11-14H2,1-3H3
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n/an/a 2.90n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human CARM1 assessed as inhibition of histone3 methylation

Bioorg Med Chem Lett 19: 5063-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.040
BindingDB Entry DOI: 10.7270/Q2KW5G3W
More data for this
Ligand-Target Pair
Histone-arginine methyltransferase CARM1


(Homo sapiens (Human))		CHEMBL5271800
PNG
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n/an/a 2.90n/an/an/an/an/an/a


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Citation and Details
More data for this
Ligand-Target Pair
Histone-arginine methyltransferase CARM1


(Homo sapiens (Human))		BDBM50598022
PNG
(CHEMBL5173678)
Show SMILES COC(=O)c1cc(O)c2cc(NC(=O)NCCCCNC(=N)NC\C=C\[C@H]3O[C@H]([C@H](O)[C@@H]3O)n3cnc4c(N)ncnc34)ccc2c1 |r|
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00252
BindingDB Entry DOI: 10.7270/Q2DF6W8F
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Histone-arginine methyltransferase CARM1


(Homo sapiens (Human))		CHEMBL5266562
PNG
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n/an/a 3.70n/an/an/an/an/an/a


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Citation and Details
More data for this
Ligand-Target Pair
Histone-arginine methyltransferase CARM1


(Homo sapiens (Human))		CHEMBL5289496
PNG
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n/an/a 3.70n/an/an/an/an/an/a


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Citation and Details
More data for this
Ligand-Target Pair
Histone-arginine methyltransferase CARM1


(Homo sapiens (Human))		BDBM440444
PNG
(US10633389, Example 109-3 | US20230279020, Example...)
Show SMILES CNC[C@@H](O)COc1ccc(Cl)c(c1)-c1nc(N2CC3(C2)CCN(CC3)C(=O)OC)c(C)c(n1)-c1c(C)noc1C |r,wD:3.3,(-12.28,1.03,;-10.95,.26,;-9.61,1.03,;-8.28,.26,;-8.28,-1.28,;-6.94,1.03,;-5.61,.26,;-4.28,1.03,;-4.28,2.57,;-2.94,3.34,;-1.61,2.57,;-.28,3.34,;-1.61,1.03,;-2.94,.26,;-.28,.26,;1.06,1.03,;2.39,.26,;3.72,1.03,;5.21,.63,;5.61,2.11,;4.12,2.51,;6.94,1.34,;8.28,2.11,;8.28,3.65,;6.94,4.42,;5.61,3.65,;9.61,4.42,;9.61,5.96,;10.95,3.65,;12.28,4.42,;2.39,-1.28,;3.72,-2.05,;1.06,-2.05,;-.28,-1.28,;1.06,-3.59,;-.19,-4.5,;-1.65,-4.02,;.29,-5.96,;1.83,-5.96,;2.3,-4.5,;3.77,-4.02,)|
Show InChI InChI=1S/C29H37ClN6O5/c1-17-25(24-18(2)34-41-19(24)3)32-26(22-12-21(6-7-23(22)30)40-14-20(37)13-31-4)33-27(17)36-15-29(16-36)8-10-35(11-9-29)28(38)39-5/h6-7,12,20,31,37H,8-11,13-16H2,1-5H3/t20-/m1/s1
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More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Histone-arginine methyltransferase CARM1


(Homo sapiens (Human))		CHEMBL5284876
PNG
PDB

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Citation and Details
More data for this
Ligand-Target Pair
Histone-arginine methyltransferase CARM1


(Homo sapiens (Human))		CHEMBL5289683
PNG
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Citation and Details
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
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
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



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of PRMT4 (unknown origin) using biotinylated histone H4 (1 to 24 residues) as substrate in presence of [3H]SAM by scintillation proximity ...

J Med Chem 62: 5414-5433 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00297
BindingDB Entry DOI: 10.7270/Q289199B
More data for this
Ligand-Target Pair
Histone-arginine methyltransferase CARM1


(Homo sapiens (Human))		CHEMBL5268692
PNG
PDB

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n/an/a 4.20n/an/an/an/an/an/a


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Citation and Details
More data for this
Ligand-Target Pair
Histone-arginine methyltransferase CARM1


(Homo sapiens (Human))		CHEMBL5274541
PNG
PDB

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n/an/a 4.30n/an/an/an/an/an/a


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Citation and Details
More data for this
Ligand-Target Pair
Histone-arginine methyltransferase CARM1


(Homo sapiens (Human))		CHEMBL5277620
PNG
PDB

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n/an/a 4.40n/an/an/an/an/an/a


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Citation and Details
More data for this
Ligand-Target Pair
Histone-arginine methyltransferase CARM1


(Homo sapiens (Human))		BDBM50301080
PNG
(CHEMBL567298 | N-methyl-2-(4-(7-methyl-2-phenyl-1H...)
Show SMILES CNCCN1CCC(CC1)c1cc(C)c2nc([nH]c2c1)-c1ccccc1
Show InChI InChI=1S/C22H28N4/c1-16-14-19(17-8-11-26(12-9-17)13-10-23-2)15-20-21(16)25-22(24-20)18-6-4-3-5-7-18/h3-7,14-15,17,23H,8-13H2,1-2H3,(H,24,25)
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n/an/a 4.60n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human CARM1 assessed as inhibition of histone3 methylation

Bioorg Med Chem Lett 19: 5063-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.040
BindingDB Entry DOI: 10.7270/Q2KW5G3W
More data for this
Ligand-Target Pair
Histone-arginine methyltransferase CARM1


(Homo sapiens (Human))		CHEMBL5273938
PNG
PDB

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n/an/a 5.10n/an/an/an/an/an/a


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Citation and Details
More data for this
Ligand-Target Pair
Histone-arginine methyltransferase CARM1


(Homo sapiens (Human))		CHEMBL5279093
PNG
PDB

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n/an/a 5.20n/an/an/an/an/an/a


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Citation and Details
More data for this
Ligand-Target Pair
Histone-arginine methyltransferase CARM1


(Homo sapiens (Human))		BDBM440444
PNG
(US10633389, Example 109-3 | US20230279020, Example...)
Show SMILES CNC[C@@H](O)COc1ccc(Cl)c(c1)-c1nc(N2CC3(C2)CCN(CC3)C(=O)OC)c(C)c(n1)-c1c(C)noc1C |r,wD:3.3,(-12.28,1.03,;-10.95,.26,;-9.61,1.03,;-8.28,.26,;-8.28,-1.28,;-6.94,1.03,;-5.61,.26,;-4.28,1.03,;-4.28,2.57,;-2.94,3.34,;-1.61,2.57,;-.28,3.34,;-1.61,1.03,;-2.94,.26,;-.28,.26,;1.06,1.03,;2.39,.26,;3.72,1.03,;5.21,.63,;5.61,2.11,;4.12,2.51,;6.94,1.34,;8.28,2.11,;8.28,3.65,;6.94,4.42,;5.61,3.65,;9.61,4.42,;9.61,5.96,;10.95,3.65,;12.28,4.42,;2.39,-1.28,;3.72,-2.05,;1.06,-2.05,;-.28,-1.28,;1.06,-3.59,;-.19,-4.5,;-1.65,-4.02,;.29,-5.96,;1.83,-5.96,;2.3,-4.5,;3.77,-4.02,)|
Show InChI InChI=1S/C29H37ClN6O5/c1-17-25(24-18(2)34-41-19(24)3)32-26(22-12-21(6-7-23(22)30)40-14-20(37)13-31-4)33-27(17)36-15-29(16-36)8-10-35(11-9-29)28(38)39-5/h6-7,12,20,31,37H,8-11,13-16H2,1-5H3/t20-/m1/s1
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n/an/a 6n/an/an/an/an/an/a


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Ligand-Target Pair		3D
3D Structure (crystal)
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