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Compile Data Set for Download or QSAR

Found 6 hits Enz. Inhib. hit(s) with Target = 'Protein-arginine N-methyltransferase 1' and Ligand = 'BDBM50328743'   
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)
PDB

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
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)
PDB

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
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)
PDB

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
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))
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)
PDB

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
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)
PDB

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
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
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)
PDB

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
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