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Compile Data Set for Download or QSAR

Found 10 hits Enz. Inhib. hit(s) with all data for assayid = 2 entry = 50032409   
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 1


(Homo sapiens (Human))
BDBM50328743
PNG
(3-((4-acetamidophenyl)diazenyl)-4-hydroxy-7-(3-(5-...)
Show SMILES CC(=O)Nc1ccc(cc1)N=Nc1c(O)c2ccc(NC(=O)Nc3ccc4c(O)c(N=Nc5ccccc5)c(cc4c3)S(O)(=O)=O)cc2cc1S(O)(=O)=O |w:31.32,11.12|
Show InChI InChI=1S/C35H27N7O10S2/c1-19(43)36-22-7-9-24(10-8-22)40-42-32-30(54(50,51)52)18-21-16-26(12-14-28(21)34(32)45)38-35(46)37-25-11-13-27-20(15-25)17-29(53(47,48)49)31(33(27)44)41-39-23-5-3-2-4-6-23/h2-18,44-45H,1H3,(H,36,43)(H2,37,38,46)(H,47,48,49)(H,50,51,52)
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n/an/a 1.29E+4n/an/an/an/an/an/a



Georgia State University

Curated by ChEMBL


Assay Description
Inhibition of human GST-tagged PRMT1-mediated arginine methylation expressed in Escherichia coli BL21 (DE3) using H4(1-20) and [14C]-AdoMet by scinti...


J Med Chem 53: 6028-39 (2010)


Article DOI: 10.1021/jm100416n
BindingDB Entry DOI: 10.7270/Q2251JDB
More data for this
Ligand-Target Pair
Protein-arginine N-methyltransferase 1


(Homo sapiens (Human))
BDBM50328744
PNG
(7-hydroxy-8-((2-methoxy-5-(vinylsulfonyl)phenyl)di...)
Show SMILES COc1ccc(cc1N=Nc1c(O)ccc2cc(cc(c12)S(O)(=O)=O)S(O)(=O)=O)S(=O)(=O)C=C |w:9.10|
Show InChI InChI=1S/C19H16N2O10S3/c1-3-32(23,24)12-5-7-16(31-2)14(9-12)20-21-19-15(22)6-4-11-8-13(33(25,26)27)10-17(18(11)19)34(28,29)30/h3-10,22H,1H2,2H3,(H,25,26,27)(H,28,29,30)
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n/an/a 5.05E+4n/an/an/an/an/an/a



Georgia State University

Curated by ChEMBL


Assay Description
Inhibition of human GST-tagged PRMT1-mediated arginine methylation expressed in Escherichia coli BL21 (DE3) using H4(1-20) and [14C]-AdoMet by scinti...


J Med Chem 53: 6028-39 (2010)


Article DOI: 10.1021/jm100416n
BindingDB Entry DOI: 10.7270/Q2251JDB
More data for this
Ligand-Target Pair
Protein-arginine N-methyltransferase 1


(Homo sapiens (Human))
BDBM50210461
PNG
((stilbamidine)4-[2-[4-amino(imino)methylphenyl]-(E...)
Show SMILES NC(=N)c1ccc(\C=C\c2ccc(cc2)C(N)=N)cc1
Show InChI InChI=1S/C16H16N4/c17-15(18)13-7-3-11(4-8-13)1-2-12-5-9-14(10-6-12)16(19)20/h1-10H,(H3,17,18)(H3,19,20)/b2-1+
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n/an/a 5.66E+4n/an/an/an/an/an/a



Georgia State University

Curated by ChEMBL


Assay Description
Inhibition of human GST-tagged PRMT1-mediated arginine methylation expressed in Escherichia coli BL21 (DE3) using H4(1-20) and [14C]-AdoMet by scinti...


J Med Chem 53: 6028-39 (2010)


Article DOI: 10.1021/jm100416n
BindingDB Entry DOI: 10.7270/Q2251JDB
More data for this
Ligand-Target Pair
Protein-arginine N-methyltransferase 1


(Homo sapiens (Human))
BDBM50328745
PNG
(4,5-dihydroxy-3-((8-hydroxy-3,6-disulfonatonaphtha...)
Show SMILES Oc1cc(cc2cc(c(N=Nc3cc(cc4cc(cc(O)c34)S(O)(=O)=O)S(O)(=O)=O)c(O)c12)S(O)(=O)=O)S(O)(=O)=O |w:10.10|
Show InChI InChI=1S/C20H14N2O15S4/c23-14-6-11(39(29,30)31)2-8-1-10(38(26,27)28)5-13(17(8)14)21-22-19-16(41(35,36)37)4-9-3-12(40(32,33)34)7-15(24)18(9)20(19)25/h1-7,23-25H,(H,26,27,28)(H,29,30,31)(H,32,33,34)(H,35,36,37)
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n/an/a 6.82E+4n/an/an/an/an/an/a



Georgia State University

Curated by ChEMBL


Assay Description
Inhibition of human GST-tagged PRMT1-mediated arginine methylation expressed in Escherichia coli BL21 (DE3) using H4(1-20) and [14C]-AdoMet by scinti...


J Med Chem 53: 6028-39 (2010)


Article DOI: 10.1021/jm100416n
BindingDB Entry DOI: 10.7270/Q2251JDB
More data for this
Ligand-Target Pair
Protein-arginine N-methyltransferase 1


(Homo sapiens (Human))
BDBM50206427
PNG
(7,7'-carbonylbis(azanediyl)bis(4-hydroxynaphthalen...)
Show SMILES Oc1cc(cc2cc(NC(=O)Nc3ccc4c(O)cc(cc4c3)S(O)(=O)=O)ccc12)S(O)(=O)=O
Show InChI InChI=1S/C21H16N2O9S2/c24-19-9-15(33(27,28)29)7-11-5-13(1-3-17(11)19)22-21(26)23-14-2-4-18-12(6-14)8-16(10-20(18)25)34(30,31)32/h1-10,24-25H,(H2,22,23,26)(H,27,28,29)(H,30,31,32)
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n/an/a 9.12E+4n/an/an/an/an/an/a



Georgia State University

Curated by ChEMBL


Assay Description
Inhibition of human GST-tagged PRMT1-mediated arginine methylation expressed in Escherichia coli BL21 (DE3) using H4(1-20) and [14C]-AdoMet by scinti...


J Med Chem 53: 6028-39 (2010)


Article DOI: 10.1021/jm100416n
BindingDB Entry DOI: 10.7270/Q2251JDB
More data for this
Ligand-Target Pair
Protein-arginine N-methyltransferase 1


(Homo sapiens (Human))
BDBM50328746
PNG
(4-hydroxy-6-(phenylamino)naphthalene-2-sulfonate |...)
Show SMILES Oc1cc(cc2ccc(Nc3ccccc3)cc12)S(O)(=O)=O
Show InChI InChI=1S/C16H13NO4S/c18-16-10-14(22(19,20)21)8-11-6-7-13(9-15(11)16)17-12-4-2-1-3-5-12/h1-10,17-18H,(H,19,20,21)
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n/an/a 1.22E+5n/an/an/an/an/an/a



Georgia State University

Curated by ChEMBL


Assay Description
Inhibition of human GST-tagged PRMT1-mediated arginine methylation expressed in Escherichia coli BL21 (DE3) using H4(1-20) and [14C]-AdoMet by scinti...


J Med Chem 53: 6028-39 (2010)


Article DOI: 10.1021/jm100416n
BindingDB Entry DOI: 10.7270/Q2251JDB
More data for this
Ligand-Target Pair
Protein-arginine N-methyltransferase 1


(Homo sapiens (Human))
BDBM50328747
PNG
(3-(phenylsulfonyloxy)naphthalene-1-sulfonate | CHE...)
Show SMILES OS(=O)(=O)c1cc(OS(=O)(=O)c2ccccc2)cc2ccccc12
Show InChI InChI=1S/C16H12O6S2/c17-23(18,19)16-11-13(10-12-6-4-5-9-15(12)16)22-24(20,21)14-7-2-1-3-8-14/h1-11H,(H,17,18,19)
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n/an/a 1.03E+6n/an/an/an/an/an/a



Georgia State University

Curated by ChEMBL


Assay Description
Inhibition of human GST-tagged PRMT1-mediated arginine methylation expressed in Escherichia coli BL21 (DE3) using H4(1-20) and [14C]-AdoMet by scinti...


J Med Chem 53: 6028-39 (2010)


Article DOI: 10.1021/jm100416n
BindingDB Entry DOI: 10.7270/Q2251JDB
More data for this
Ligand-Target Pair
Protein-arginine N-methyltransferase 1


(Homo sapiens (Human))
BDBM50328748
PNG
(4-((2-carboxyphenyl)diazenyl)-3-hydroxynaphthalene...)
Show SMILES OC(=O)c1ccccc1N=Nc1c(O)c(cc2cc(ccc12)S(O)(=O)=O)S(O)(=O)=O |w:10.11|
Show InChI InChI=1S/C17H12N2O9S2/c20-16-14(30(26,27)28)8-9-7-10(29(23,24)25)5-6-11(9)15(16)19-18-13-4-2-1-3-12(13)17(21)22/h1-8,20H,(H,21,22)(H,23,24,25)(H,26,27,28)
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n/an/a 1.06E+6n/an/an/an/an/an/a



Georgia State University

Curated by ChEMBL


Assay Description
Inhibition of human GST-tagged PRMT1-mediated arginine methylation expressed in Escherichia coli BL21 (DE3) using H4(1-20) and [14C]-AdoMet by scinti...


J Med Chem 53: 6028-39 (2010)


Article DOI: 10.1021/jm100416n
BindingDB Entry DOI: 10.7270/Q2251JDB
More data for this
Ligand-Target Pair
Protein-arginine N-methyltransferase 1


(Homo sapiens (Human))
BDBM50328749
PNG
(3-hydroxy-4-(3-nitrophenylsulfonamido)naphthalene-...)
Show SMILES Oc1cc(c2ccccc2c1NS(=O)(=O)c1cccc(c1)[N+]([O-])=O)S([O-])(=O)=O
Show InChI InChI=1S/C16H12N2O8S2/c19-14-9-15(28(24,25)26)12-6-1-2-7-13(12)16(14)17-27(22,23)11-5-3-4-10(8-11)18(20)21/h1-9,17,19H,(H,24,25,26)/p-1
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n/an/a 1.46E+6n/an/an/an/an/an/a



Georgia State University

Curated by ChEMBL


Assay Description
Inhibition of human GST-tagged PRMT1-mediated arginine methylation expressed in Escherichia coli BL21 (DE3) using H4(1-20) and [14C]-AdoMet by scinti...


J Med Chem 53: 6028-39 (2010)


Article DOI: 10.1021/jm100416n
BindingDB Entry DOI: 10.7270/Q2251JDB
More data for this
Ligand-Target Pair
Protein-arginine N-methyltransferase 1


(Homo sapiens (Human))
BDBM50210465
PNG
(CHEMBL227725 | NSC-34238 | allantodapsone)
Show SMILES Nc1ccc(cc1)S(=O)(=O)c1ccc(NCN2C(=O)NC(=O)C(=O)C2=O)cc1
Show InChI InChI=1S/C17H14N4O6S/c18-10-1-5-12(6-2-10)28(26,27)13-7-3-11(4-8-13)19-9-21-16(24)14(22)15(23)20-17(21)25/h1-8,19H,9,18H2,(H,20,23,25)
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n/an/a 1.83E+6n/an/an/an/an/an/a



Georgia State University

Curated by ChEMBL


Assay Description
Inhibition of human GST-tagged PRMT1-mediated arginine methylation expressed in Escherichia coli BL21 (DE3) using H4(1-20) and [14C]-AdoMet by scinti...


J Med Chem 53: 6028-39 (2010)


Article DOI: 10.1021/jm100416n
BindingDB Entry DOI: 10.7270/Q2251JDB
More data for this
Ligand-Target Pair