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BDBM50328743 3-((4-acetamidophenyl)diazenyl)-4-hydroxy-7-(3-(5-hydroxy-6-((E)-phenyldiazenyl)-7-sulfonaphthalen-2-yl)ureido)naphthalene-2-sulfonate::3-((4-acetamidophenyl)diazenyl)-4-hydroxy-7-(3-(5-hydroxy-6-(phenyldiazenyl)-7-sulfonaphthalen-2-yl)ureido)naphthalene-2-sulfonic acid::CHEMBL1092740::NSC-47762

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

InChI Key: InChIKey=ICIJDHUPWYQXGB-UHFFFAOYSA-N

Data: 1 KI  9 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 10 hits for monomerid = 50328743   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/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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1.71E+3n/an/an/an/an/an/an/an/a



Georgia State University

Curated by ChEMBL


Assay Description
Binding affinity to His6x-tagged PRMT1 expressed in Escherichia coli BL21 (DE3) using fluorescein-labeled H4(1-20) peptide substrate by spectrofluoro...


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))
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 1.27E+4n/an/an/an/an/an/a



Georgia State University

Curated by ChEMBL


Assay Description
Inhibition of His6x-tagged PRMT1-mediated protein arginine methylation expressed in Escherichia coli BL21 (DE3) using H4(1-20) and [14C]-SAM by scint...


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))
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 7.42E+5n/an/an/an/an/an/a



Georgia State University

Curated by ChEMBL


Assay Description
Inhibition of His6x-tagged PRMT1-mediated protein arginine methylation expressed in Escherichia coli BL21 (DE3) using GAR R4 peptide and [14C]-AdoMet...


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))
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 2.05E+4n/an/an/an/an/an/a



Georgia State University

Curated by ChEMBL


Assay Description
Inhibition of histidine tagged recombinant PRMT1 expressed in Escherichia coli BL21 (DE3) cells using Histone H4(1-20) substrate preincubated for 5 m...


J Med Chem 55: 7978-87 (2012)


Article DOI: 10.1021/jm300521m
BindingDB Entry DOI: 10.7270/Q2PN96R4
More data for this
Ligand-Target Pair
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 1.77E+5n/an/an/an/an/an/a



Georgia State University

Curated by ChEMBL


Assay Description
Inhibition of His6x-tagged PRMT1-mediated arginine methylation expressed in Escherichia coli BL21 (DE3) using H4(1-11) and [14C]-SAM by scintillation...


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
Histone acetyltransferase p300


(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 1.37E+4n/an/an/an/an/an/a



Georgia State University

Curated by ChEMBL


Assay Description
Inhibition of HAT p300-mediated arginine methylation using H4(1-20) and [14C]-acetyl CoA by scintillation counting


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
Histone-Arginine Methyltransferase CARM1


(Mus musculus (mouse))
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 2.00E+6n/an/an/an/an/an/a



Georgia State University

Curated by ChEMBL


Assay Description
Inhibition of mouse GST-tagged CARM1-mediated arginine methylation expressed in Escherichia coli BL21 (DE3) using H3(1-31) and [14C]-SAM by scintilla...


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 6


(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 3.92E+4n/an/an/an/an/an/a



Georgia State University

Curated by ChEMBL


Assay Description
Inhibition of His6x-tagged PRMT6-mediated arginine methylation expressed in Escherichia coli BL21 (DE3) using H3(1-31) peptide and [14C]-SAM by scint...


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))
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 methyltransferase 3 (PRMT3)


(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 7.10E+3n/an/an/an/an/an/a



Georgia State University

Curated by ChEMBL


Assay Description
Inhibition of His6x-tagged PRMT3-mediated arginine methylation expressed in Escherichia coli BL21 (DE3) using GAR R4 peptide and [14C]-SAM by scintil...


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