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Compile Data Set for Download or QSAR

Found 89 hits Enz. Inhib. hit(s) with Target = 'Histone-arginine methyltransferase CARM1' AND taxid = 9606   
Target
(Institution)
LigandTarget
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 methyltransferase 4 (PRMT4)


(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 ...


Citation and Details
More data for this
Ligand-Target Pair
Protein arginine methyltransferase 4 (PRMT4)


(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 ...


Citation and Details
More data for this
Ligand-Target Pair
Protein arginine methyltransferase 4 (PRMT4)


(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)


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Protein arginine methyltransferase 4 (PRMT4)


(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


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Protein arginine methyltransferase 4 (PRMT4)


(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
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...


Citation and Details
More data for this
Ligand-Target Pair
Protein arginine methyltransferase 4 (PRMT4)


(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 ...


Citation and Details
More data for this
Ligand-Target Pair
Protein arginine methyltransferase 4 (PRMT4)


(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
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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>1.00E+5n/an/an/an/an/an/an/an/a



Baylor College of Medicine

Curated by ChEMBL


Assay Description
Inhibition of CARM1


Citation and Details
More data for this
Ligand-Target Pair
Protein arginine methyltransferase 4 (PRMT4)


(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
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


Citation and Details
More data for this
Ligand-Target Pair
Protein arginine methyltransferase 4 (PRMT4)


(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
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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Baylor College of Medicine

Curated by ChEMBL


Assay Description
Inhibition of CARM1


Citation and Details
More data for this
Ligand-Target Pair
Protein arginine methyltransferase 4 (PRMT4)


(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
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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Baylor College of Medicine

Curated by ChEMBL


Assay Description
Inhibition of CARM1


Citation and Details
More data for this
Ligand-Target Pair
Protein arginine methyltransferase 4 (PRMT4)


(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
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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>1.00E+5n/an/an/an/an/an/an/an/a



Baylor College of Medicine

Curated by ChEMBL


Assay Description
Inhibition of CARM1


Citation and Details
More data for this
Ligand-Target Pair
Protein arginine methyltransferase 4 (PRMT4)


(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
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


Citation and Details
More data for this
Ligand-Target Pair
Protein arginine methyltransferase 4 (PRMT4)


(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


Citation and Details
More data for this
Ligand-Target Pair
Protein arginine methyltransferase 4 (PRMT4)


(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


Citation and Details
More data for this
Ligand-Target Pair
Protein arginine methyltransferase 4 (PRMT4)


(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


Citation and Details
More data for this
Ligand-Target Pair
Protein arginine methyltransferase 4 (PRMT4)


(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


Citation and Details
More data for this
Ligand-Target Pair
Protein arginine methyltransferase 4 (PRMT4)


(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


Citation and Details
More data for this
Ligand-Target Pair
Protein arginine methyltransferase 4 (PRMT4)


(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


Citation and Details
More data for this
Ligand-Target Pair
Protein arginine methyltransferase 4 (PRMT4)


(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


Citation and Details
More data for this
Ligand-Target Pair
Protein arginine methyltransferase 4 (PRMT4)


(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


Citation and Details
More data for this
Ligand-Target Pair
Protein arginine methyltransferase 4 (PRMT4)


(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


Citation and Details
More data for this
Ligand-Target Pair
Protein arginine methyltransferase 4 (PRMT4)


(Homo sapiens (Human))
BDBM50301070
PNG
(2-(2-methoxypyridin-3-yl)-4-methyl-6-(piperidin-4-...)
Show SMILES COc1ncccc1-c1nc2c(C)cc(cc2[nH]1)C1CCNCC1
Show InChI InChI=1S/C19H22N4O/c1-12-10-14(13-5-8-20-9-6-13)11-16-17(12)23-18(22-16)15-4-3-7-21-19(15)24-2/h3-4,7,10-11,13,20H,5-6,8-9H2,1-2H3,(H,22,23)
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n/an/a 17n/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


Citation and Details
More data for this
Ligand-Target Pair
Protein arginine methyltransferase 4 (PRMT4)


(Homo sapiens (Human))
BDBM50301072
PNG
((R)-1-(4-(2-(2-methoxypyridin-3-yl)-4-methyl-1H-be...)
Show SMILES CN[C@H](C)CN1CCC(CC1)c1cc(C)c2nc([nH]c2c1)-c1cccnc1OC
Show InChI InChI=1S/C23H31N5O/c1-15-12-18(17-7-10-28(11-8-17)14-16(2)24-3)13-20-21(15)27-22(26-20)19-6-5-9-25-23(19)29-4/h5-6,9,12-13,16-17,24H,7-8,10-11,14H2,1-4H3,(H,26,27)/t16-/m1/s1
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n/an/a>30n/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


Citation and Details
More data for this
Ligand-Target Pair
Protein arginine methyltransferase 4 (PRMT4)


(Homo sapiens (Human))
BDBM50301071
PNG
((S)-1-(4-(2-(2-methoxypyridin-3-yl)-4-methyl-1H-be...)
Show SMILES CN[C@@H](C)CN1CCC(CC1)c1cc(C)c2nc([nH]c2c1)-c1cccnc1OC
Show InChI InChI=1S/C23H31N5O/c1-15-12-18(17-7-10-28(11-8-17)14-16(2)24-3)13-20-21(15)27-22(26-20)19-6-5-9-25-23(19)29-4/h5-6,9,12-13,16-17,24H,7-8,10-11,14H2,1-4H3,(H,26,27)/t16-/m0/s1
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n/an/a>30n/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


Citation and Details
More data for this
Ligand-Target Pair
Protein arginine methyltransferase 4 (PRMT4)


(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
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 40n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of CARM1 assessed as blockade of histone H3 methylation


Citation and Details
More data for this
Ligand-Target Pair
Protein arginine methyltransferase 4 (PRMT4)


(Homo sapiens (Human))
BDBM50258814
PNG
((S)-2-amino-N-(3-(5-(5-(2-methoxyphenylamino)-1,3,...)
Show SMILES COc1ccccc1Nc1nnc(o1)-c1cc(nn1-c1cccc(CNC(=O)[C@H](C)N)c1)C(F)(F)F
Show InChI InChI=1S/C23H22F3N7O3/c1-13(27)20(34)28-12-14-6-5-7-15(10-14)33-17(11-19(32-33)23(24,25)26)21-30-31-22(36-21)29-16-8-3-4-9-18(16)35-2/h3-11,13H,12,27H2,1-2H3,(H,28,34)(H,29,31)/t13-/m0/s1
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Bristol-Myers Squibb Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of CARM1 assessed as blockade of histone H3 methylation


Citation and Details
More data for this
Ligand-Target Pair
Protein arginine methyltransferase 4 (PRMT4)


(Homo sapiens (Human))
BDBM50258787
PNG
((S)-2-amino-N-(3-(5-(5-(2-methoxyphenyl)-1,3,4-oxa...)
Show SMILES COc1ccccc1-c1nnc(o1)-c1cc(nn1-c1cccc(CNC(=O)[C@H](C)N)c1)C(F)(F)F
Show InChI InChI=1S/C23H21F3N6O3/c1-13(27)20(33)28-12-14-6-5-7-15(10-14)32-17(11-19(31-32)23(24,25)26)22-30-29-21(35-22)16-8-3-4-9-18(16)34-2/h3-11,13H,12,27H2,1-2H3,(H,28,33)/t13-/m0/s1
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Bristol-Myers Squibb Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of CARM1 assessed as blockade of histone H3 methylation


Citation and Details
More data for this
Ligand-Target Pair
Protein arginine methyltransferase 4 (PRMT4)


(Homo sapiens (Human))
BDBM50258789
PNG
((S)-2-amino-N-(3-(5-(5-(2-chlorophenyl)-1,3,4-oxad...)
Show SMILES C[C@H](N)C(=O)NCc1cccc(c1)-n1nc(cc1-c1nnc(o1)-c1ccccc1Cl)C(F)(F)F
Show InChI InChI=1S/C22H18ClF3N6O2/c1-12(27)19(33)28-11-13-5-4-6-14(9-13)32-17(10-18(31-32)22(24,25)26)21-30-29-20(34-21)15-7-2-3-8-16(15)23/h2-10,12H,11,27H2,1H3,(H,28,33)/t12-/m0/s1
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Bristol-Myers Squibb Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of CARM1 assessed as blockade of histone H3 methylation


Citation and Details
More data for this
Ligand-Target Pair
Protein arginine methyltransferase 4 (PRMT4)


(Homo sapiens (Human))
BDBM50258747
PNG
((S)-2-amino-N-(3-(5-(5-phenyl-1,3,4-oxadiazol-2-yl...)
Show SMILES C[C@H](N)C(=O)NCc1cccc(c1)-n1nc(cc1-c1nnc(o1)-c1ccccc1)C(F)(F)F
Show InChI InChI=1S/C22H19F3N6O2/c1-13(26)19(32)27-12-14-6-5-9-16(10-14)31-17(11-18(30-31)22(23,24)25)21-29-28-20(33-21)15-7-3-2-4-8-15/h2-11,13H,12,26H2,1H3,(H,27,32)/t13-/m0/s1
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n/an/a 60n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of CARM1 assessed as blockade of histone H3 methylation


Citation and Details
More data for this
Ligand-Target Pair
Protein arginine methyltransferase 4 (PRMT4)


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



Bristol-Myers Squibb Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human GST-tagged CARM1 by methylation assay


Citation and Details
More data for this
Ligand-Target Pair
Protein arginine methyltransferase 4 (PRMT4)


(Homo sapiens (Human))
BDBM27659
PNG
(1-(3-{[(2S)-2-aminopropanamido]methyl}phenyl)-N-be...)
Show SMILES C[C@H](N)C(=O)NCc1cccc(c1)-n1nc(cc1C(=O)NCc1ccccc1)C(F)(F)F
Show InChI InChI=1S/C22H22F3N5O2/c1-14(26)20(31)27-13-16-8-5-9-17(10-16)30-18(11-19(29-30)22(23,24)25)21(32)28-12-15-6-3-2-4-7-15/h2-11,14H,12-13,26H2,1H3,(H,27,31)(H,28,32)/t14-/m0/s1
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Bristol-Myers Squibb Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of CARM1 assessed as blockade of histone H3 methylation


Citation and Details
More data for this
Ligand-Target Pair
Protein arginine methyltransferase 4 (PRMT4)


(Homo sapiens (Human))
BDBM50258815
PNG
((S)-2-amino-N-(3-(3-methyl-5-(5-phenyl-1,3,4-oxadi...)
Show SMILES C[C@H](N)C(=O)NCc1cccc(c1)-n1nc(C)cc1-c1nnc(o1)-c1ccccc1
Show InChI InChI=1S/C22H22N6O2/c1-14-11-19(22-26-25-21(30-22)17-8-4-3-5-9-17)28(27-14)18-10-6-7-16(12-18)13-24-20(29)15(2)23/h3-12,15H,13,23H2,1-2H3,(H,24,29)/t15-/m0/s1
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Bristol-Myers Squibb Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of CARM1 assessed as blockade of histone H3 methylation


Citation and Details
More data for this
Ligand-Target Pair
Protein arginine methyltransferase 4 (PRMT4)


(Homo sapiens (Human))
BDBM50262871
PNG
(2-{3-[((S)-2-Amino-propionylamino)-methyl]-phenyl}...)
Show SMILES C[C@H](N)C(=O)NCc1cccc(c1)-n1nc(cc1C(=O)Nc1ccc(cc1F)-c1ccccc1S(C)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C28H25F4N5O4S/c1-16(33)26(38)34-15-17-6-5-7-19(12-17)37-23(14-25(36-37)28(30,31)32)27(39)35-22-11-10-18(13-21(22)29)20-8-3-4-9-24(20)42(2,40)41/h3-14,16H,15,33H2,1-2H3,(H,34,38)(H,35,39)/t16-/m0/s1
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Bristol-Myers Squibb Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human GST-tagged CARM1 by methylation assay


Citation and Details
More data for this
Ligand-Target Pair
Protein arginine methyltransferase 4 (PRMT4)


(Homo sapiens (Human))
BDBM50258788
PNG
((S)-2-amino-N-(3-(5-(5-(3-methoxyphenyl)-1,3,4-oxa...)
Show SMILES COc1cccc(c1)-c1nnc(o1)-c1cc(nn1-c1cccc(CNC(=O)[C@H](C)N)c1)C(F)(F)F
Show InChI InChI=1S/C23H21F3N6O3/c1-13(27)20(33)28-12-14-5-3-7-16(9-14)32-18(11-19(31-32)23(24,25)26)22-30-29-21(35-22)15-6-4-8-17(10-15)34-2/h3-11,13H,12,27H2,1-2H3,(H,28,33)/t13-/m0/s1
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Bristol-Myers Squibb Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of CARM1 assessed as blockade of histone H3 methylation


Citation and Details
More data for this
Ligand-Target Pair
Protein arginine methyltransferase 4 (PRMT4)


(Homo sapiens (Human))
BDBM50262920
PNG
(1-(3-(((S)-2-aminopropanamido)methyl)phenyl)-N-((R...)
Show SMILES C[C@H](N)C(=O)NCc1cccc(c1)-n1nc(cc1C(=O)N[C@H](C)c1ccccc1)C(F)(F)F
Show InChI InChI=1S/C23H24F3N5O2/c1-14(27)21(32)28-13-16-7-6-10-18(11-16)31-19(12-20(30-31)23(24,25)26)22(33)29-15(2)17-8-4-3-5-9-17/h3-12,14-15H,13,27H2,1-2H3,(H,28,32)(H,29,33)/t14-,15+/m0/s1
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Bristol-Myers Squibb Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human GST-tagged CARM1 by methylation assay


Citation and Details
More data for this
Ligand-Target Pair
Protein arginine methyltransferase 4 (PRMT4)


(Homo sapiens (Human))
BDBM50258748
PNG
((S)-2-amino-N-(3-(5-(3-phenyl-1,2,4-oxadiazol-5-yl...)
Show SMILES C[C@H](N)C(=O)NCc1cccc(c1)-n1nc(cc1-c1nc(no1)-c1ccccc1)C(F)(F)F
Show InChI InChI=1S/C22H19F3N6O2/c1-13(26)20(32)27-12-14-6-5-9-16(10-14)31-17(11-18(29-31)22(23,24)25)21-28-19(30-33-21)15-7-3-2-4-8-15/h2-11,13H,12,26H2,1H3,(H,27,32)/t13-/m0/s1
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Bristol-Myers Squibb Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of CARM1 assessed as blockade of histone H3 methylation


Citation and Details
More data for this
Ligand-Target Pair
Protein arginine methyltransferase 4 (PRMT4)


(Homo sapiens (Human))
BDBM50262826
PNG
(1-(3-((2-aminoacetamido)methyl)phenyl)-N-(3-(methy...)
Show SMILES CS(=O)(=O)c1cccc(NC(=O)c2cc(nn2-c2cccc(CNC(=O)CN)c2)C(F)(F)F)c1
Show InChI InChI=1S/C21H20F3N5O4S/c1-34(32,33)16-7-3-5-14(9-16)27-20(31)17-10-18(21(22,23)24)28-29(17)15-6-2-4-13(8-15)12-26-19(30)11-25/h2-10H,11-12,25H2,1H3,(H,26,30)(H,27,31)
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Bristol-Myers Squibb Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human GST-tagged CARM1 by methylation assay


Citation and Details
More data for this
Ligand-Target Pair
Protein arginine methyltransferase 4 (PRMT4)


(Homo sapiens (Human))
BDBM50258749
PNG
((S)-2-amino-N-(3-(5-(5-benzyl-1,3,4-oxadiazol-2-yl...)
Show SMILES C[C@H](N)C(=O)NCc1cccc(c1)-n1nc(cc1-c1nnc(Cc2ccccc2)o1)C(F)(F)F
Show InChI InChI=1S/C23H21F3N6O2/c1-14(27)21(33)28-13-16-8-5-9-17(10-16)32-18(12-19(31-32)23(24,25)26)22-30-29-20(34-22)11-15-6-3-2-4-7-15/h2-10,12,14H,11,13,27H2,1H3,(H,28,33)/t14-/m0/s1
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Bristol-Myers Squibb Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of CARM1 assessed as blockade of histone H3 methylation


Citation and Details
More data for this
Ligand-Target Pair
Protein arginine methyltransferase 4 (PRMT4)


(Homo sapiens (Human))
BDBM50258859
PNG
((S)-2-amino-N-(3-(4-(5-phenyl-1,3,4-oxadiazol-2-yl...)
Show SMILES C[C@H](N)C(=O)NCc1cccc(c1)-c1ocnc1-c1nnc(o1)-c1ccccc1
Show InChI InChI=1S/C21H19N5O3/c1-13(22)19(27)23-11-14-6-5-9-16(10-14)18-17(24-12-28-18)21-26-25-20(29-21)15-7-3-2-4-8-15/h2-10,12-13H,11,22H2,1H3,(H,23,27)/t13-/m0/s1
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Bristol-Myers Squibb Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of CARM1 assessed as blockade of histone H3 methylation


Citation and Details
More data for this
Ligand-Target Pair
Protein arginine methyltransferase 4 (PRMT4)


(Homo sapiens (Human))
BDBM50258817
PNG
((S)-2-amino-N-(3-(1-methyl-4-(5-phenyl-1,3,4-oxadi...)
Show SMILES C[C@H](N)C(=O)NCc1cccc(c1)-c1nn(C)cc1-c1nnc(o1)-c1ccccc1
Show InChI InChI=1S/C22H22N6O2/c1-14(23)20(29)24-12-15-7-6-10-17(11-15)19-18(13-28(2)27-19)22-26-25-21(30-22)16-8-4-3-5-9-16/h3-11,13-14H,12,23H2,1-2H3,(H,24,29)/t14-/m0/s1
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n/an/a 400n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of CARM1 assessed as blockade of histone H3 methylation


Citation and Details
More data for this
Ligand-Target Pair
Protein arginine methyltransferase 4 (PRMT4)


(Homo sapiens (Human))
BDBM50262985
PNG
(CHEMBL478195 | benzyl 1-(3-(((S)-2-aminopropanamid...)
Show SMILES C[C@H](N)C(=O)NCc1cccc(c1)-n1nc(cc1NC(=O)OCc1ccccc1)C(F)(F)F
Show InChI InChI=1S/C22H22F3N5O3/c1-14(26)20(31)27-12-16-8-5-9-17(10-16)30-19(11-18(29-30)22(23,24)25)28-21(32)33-13-15-6-3-2-4-7-15/h2-11,14H,12-13,26H2,1H3,(H,27,31)(H,28,32)/t14-/m0/s1
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n/an/a 600n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human GST-tagged CARM1 by methylation assay


Citation and Details
More data for this
Ligand-Target Pair
Protein arginine methyltransferase 4 (PRMT4)


(Homo sapiens (Human))
BDBM50262921
PNG
(1-(3-(((S)-2-aminopropanamido)methyl)phenyl)-N-phe...)
Show SMILES C[C@H](N)C(=O)NCc1cccc(c1)-n1nc(cc1C(=O)NCCc1ccccc1)C(F)(F)F
Show InChI InChI=1S/C23H24F3N5O2/c1-15(27)21(32)29-14-17-8-5-9-18(12-17)31-19(13-20(30-31)23(24,25)26)22(33)28-11-10-16-6-3-2-4-7-16/h2-9,12-13,15H,10-11,14,27H2,1H3,(H,28,33)(H,29,32)/t15-/m0/s1
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n/an/a 1.10E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human GST-tagged CARM1 by methylation assay


Citation and Details
More data for this
Ligand-Target Pair
Protein arginine methyltransferase 4 (PRMT4)


(Homo sapiens (Human))
BDBM50262876
PNG
(1-(3-(((S)-2-aminopropanamido)methyl)phenyl)-N-phe...)
Show SMILES C[C@H](N)C(=O)NCc1cccc(c1)-n1nc(cc1C(=O)Nc1ccccc1)C(F)(F)F
Show InChI InChI=1S/C21H20F3N5O2/c1-13(25)19(30)26-12-14-6-5-9-16(10-14)29-17(11-18(28-29)21(22,23)24)20(31)27-15-7-3-2-4-8-15/h2-11,13H,12,25H2,1H3,(H,26,30)(H,27,31)/t13-/m0/s1
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n/an/a 1.32E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human GST-tagged CARM1 by methylation assay


Citation and Details
More data for this
Ligand-Target Pair
Protein arginine methyltransferase 4 (PRMT4)


(Homo sapiens (Human))
BDBM50262869
PNG
(2-{3-[(2-Amino-acetylamino)-methyl]-phenyl}-5-trif...)
Show SMILES NCC(=O)NCc1cccc(c1)-n1nc(cc1C(=O)Nc1ccc(cc1)-c1ccccc1)C(F)(F)F
Show InChI InChI=1S/C26H22F3N5O2/c27-26(28,29)23-14-22(34(33-23)21-8-4-5-17(13-21)16-31-24(35)15-30)25(36)32-20-11-9-19(10-12-20)18-6-2-1-3-7-18/h1-14H,15-16,30H2,(H,31,35)(H,32,36)
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n/an/a 1.42E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human GST-tagged CARM1 by methylation assay


Citation and Details
More data for this
Ligand-Target Pair
Protein arginine methyltransferase 4 (PRMT4)


(Homo sapiens (Human))
BDBM50258750
PNG
((S)-2-amino-N-(3-(5-(5-(pyridin-4-yl)-1,3,4-oxadia...)
Show SMILES C[C@H](N)C(=O)NCc1cccc(c1)-n1nc(cc1-c1nnc(o1)-c1ccncc1)C(F)(F)F
Show InChI InChI=1S/C21H18F3N7O2/c1-12(25)18(32)27-11-13-3-2-4-15(9-13)31-16(10-17(30-31)21(22,23)24)20-29-28-19(33-20)14-5-7-26-8-6-14/h2-10,12H,11,25H2,1H3,(H,27,32)/t12-/m0/s1
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n/an/a 1.54E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of CARM1 assessed as blockade of histone H3 methylation


Citation and Details
More data for this
Ligand-Target Pair
Protein arginine methyltransferase 4 (PRMT4)


(Homo sapiens (Human))
BDBM50262982
PNG
(2-{3-[(2-Amino-acetylamino)-methyl]-phenyl}-5-trif...)
Show SMILES CS(=O)(=O)c1ccccc1-c1ccc(NC(=O)c2cc(nn2-c2cccc(CNC(=O)CN)c2)C(F)(F)F)cc1
Show InChI InChI=1S/C27H24F3N5O4S/c1-40(38,39)23-8-3-2-7-21(23)18-9-11-19(12-10-18)33-26(37)22-14-24(27(28,29)30)34-35(22)20-6-4-5-17(13-20)16-32-25(36)15-31/h2-14H,15-16,31H2,1H3,(H,32,36)(H,33,37)
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n/an/a 1.80E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human GST-tagged CARM1 by methylation assay


Citation and Details
More data for this
Ligand-Target Pair
Protein arginine methyltransferase 4 (PRMT4)


(Homo sapiens (Human))
BDBM50258860
PNG
((S)-2-amino-N-(3-(5-(5-phenyl-1,3,4-oxadiazol-2-yl...)
Show SMILES C[C@H](N)C(=O)NCc1cccc(c1)-n1cncc1-c1nnc(o1)-c1ccccc1
Show InChI InChI=1S/C21H20N6O2/c1-14(22)19(28)24-11-15-6-5-9-17(10-15)27-13-23-12-18(27)21-26-25-20(29-21)16-7-3-2-4-8-16/h2-10,12-14H,11,22H2,1H3,(H,24,28)/t14-/m0/s1
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n/an/a 2.10E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of CARM1 assessed as blockade of histone H3 methylation


Citation and Details
More data for this
Ligand-Target Pair
Protein arginine methyltransferase 4 (PRMT4)


(Homo sapiens (Human))
BDBM50258816
PNG
((S)-2-amino-N-(3-(1-methyl-4-(5-phenyl-1,3,4-oxadi...)
Show SMILES C[C@H](N)C(=O)NCc1cccc(c1)-c1c(cnn1C)-c1nnc(o1)-c1ccccc1
Show InChI InChI=1S/C22H22N6O2/c1-14(23)20(29)24-12-15-7-6-10-17(11-15)19-18(13-25-28(19)2)22-27-26-21(30-22)16-8-4-3-5-9-16/h3-11,13-14H,12,23H2,1-2H3,(H,24,29)/t14-/m0/s1
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n/an/a 2.20E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of CARM1 assessed as blockade of histone H3 methylation


Citation and Details
More data for this
Ligand-Target Pair
Protein arginine methyltransferase 4 (PRMT4)


(Homo sapiens (Human))
BDBM50075097
PNG
(CHEMBL3414627)
Show SMILES [Na+].COc1ccc(cc1)\N=N\c1c(O)c2ccc(Nc3nc(Cl)nc(Cl)n3)cc2cc1S([O-])(=O)=O
Show InChI InChI=1S/C20H14Cl2N6O5S.Na/c1-33-13-5-2-11(3-6-13)27-28-16-15(34(30,31)32)9-10-8-12(4-7-14(10)17(16)29)23-20-25-18(21)24-19(22)26-20;/h2-9,29H,1H3,(H,30,31,32)(H,23,24,25,26);/q;+1/p-1/b28-27+;
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n/an/a 2.60E+3n/an/an/an/an/an/a



Icahn School of Medicine at Mount Sinai

Curated by ChEMBL


Assay Description
Inhibition of recombinant human GST-tagged CARM1


Citation and Details
More data for this
Ligand-Target Pair
Protein arginine methyltransferase 4 (PRMT4)


(Homo sapiens (Human))
BDBM50075101
PNG
(CHEMBL3414624)
Show SMILES CCCN[C@@H](CC[C@H](N)C(O)=O)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12
Show InChI InChI=1/C18H29N7O5/c1-2-5-21-9(3-4-10(19)18(28)29)6-11-13(26)14(27)17(30-11)25-8-24-12-15(20)22-7-23-16(12)25/h7-11,13-14,17,21,26-27H,2-6,19H2,1H3,(H,28,29)(H2,20,22,23)/t9-,10-,11+,13+,14+,17+/s2
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n/an/a 3.00E+3n/an/an/an/an/an/a



Icahn School of Medicine at Mount Sinai

Curated by ChEMBL


Assay Description
Inhibition of human CARM1 (19 to 608) using histamine H3 (1 to 40) as substrate assessed as transfer of [3H]-Me of [3H-Me]-SAM to peptide substrate a...


Citation and Details
More data for this
Ligand-Target Pair
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