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3 similar compounds to monomer 50206431

Compile data set for download or QSAR
Wt: 504.4
BDBM50206427
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Wt: 358.3
BDBM50206439
Wt: 410.0
BDBM50210464
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 13 hits for monomerid = 50206427,50206439,50210464   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
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))
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 3.76E+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
Histone acetyltransferase p300


(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 1.19E+5n/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
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 1.37E+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 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))
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 7.69E+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))
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 1.20E+3n/an/an/an/an/an/a



Albert-Ludwigs-University of Freiburg

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PRMT1 by TRF assay


J Med Chem 50: 2319-25 (2007)


Article DOI: 10.1021/jm061250e
BindingDB Entry DOI: 10.7270/Q2862H8Q
More data for this
Ligand-Target Pair
Pyruvate kinase


(Staphylococcus aureus (strain MRSA252))
BDBM50210464
PNG
(CHEMBL3958246)
Show SMILES Oc1c(Br)cccc1NC(=O)c1cc2ccc(Br)cc2[nH]1
Show InChI InChI=1S/C15H10Br2N2O2/c16-9-5-4-8-6-13(18-12(8)7-9)15(21)19-11-3-1-2-10(17)14(11)20/h1-7,18,20H,(H,19,21)
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n/an/a 116n/an/an/an/an/an/a



Simon Fraser University

Curated by ChEMBL


Assay Description
Inhibition of recombinant N-terminal His-tagged methicillin-resistant Staphylococcus aureus MRSA252 pyruvate kinase expressed in Escherichia coli BL2...


Eur J Med Chem 125: 1-13 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.018
BindingDB Entry DOI: 10.7270/Q2CC12P0
More data for this
Ligand-Target Pair
RmtA


(Emericella nidulans)
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 8.80E+4n/an/an/an/an/an/a



Sapienza University of Rome

Curated by ChEMBL


Assay Description
Inhibition of Aspergillus nidulans recombinant GST-RmtA expressed in BL21 cells


J Med Chem 50: 1241-53 (2007)


Article DOI: 10.1021/jm061213n
BindingDB Entry DOI: 10.7270/Q29887TV
More data for this
Ligand-Target Pair
RmtA


(Emericella nidulans)
BDBM50206439
PNG
(4-hydroxy-7-(3-phenylureido)naphthalene-2-sulfonic...)
Show SMILES Oc1cc(cc2cc(NC(=O)Nc3ccccc3)ccc12)S(O)(=O)=O
Show InChI InChI=1S/C17H14N2O5S/c20-16-10-14(25(22,23)24)9-11-8-13(6-7-15(11)16)19-17(21)18-12-4-2-1-3-5-12/h1-10,20H,(H2,18,19,21)(H,22,23,24)
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n/an/a 1.08E+6n/an/an/an/an/an/a



Sapienza University of Rome

Curated by ChEMBL


Assay Description
Inhibition of Aspergillus nidulans recombinant GST-RmtA expressed in BL21 cells


J Med Chem 50: 1241-53 (2007)


Article DOI: 10.1021/jm061213n
BindingDB Entry DOI: 10.7270/Q29887TV
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 9.20E+4n/an/an/an/an/an/a



Sapienza University of Rome

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-PRMT1 expressed in BL21 cells


J Med Chem 50: 1241-53 (2007)


Article DOI: 10.1021/jm061213n
BindingDB Entry DOI: 10.7270/Q29887TV
More data for this
Ligand-Target Pair
Protein-arginine N-methyltransferase 1


(Homo sapiens (Human))
BDBM50206439
PNG
(4-hydroxy-7-(3-phenylureido)naphthalene-2-sulfonic...)
Show SMILES Oc1cc(cc2cc(NC(=O)Nc3ccccc3)ccc12)S(O)(=O)=O
Show InChI InChI=1S/C17H14N2O5S/c20-16-10-14(25(22,23)24)9-11-8-13(6-7-15(11)16)19-17(21)18-12-4-2-1-3-5-12/h1-10,20H,(H2,18,19,21)(H,22,23,24)
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n/an/a 5.29E+5n/an/an/an/an/an/a



Sapienza University of Rome

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-PRMT1 expressed in BL21 cells


J Med Chem 50: 1241-53 (2007)


Article DOI: 10.1021/jm061213n
BindingDB Entry DOI: 10.7270/Q29887TV
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/an/a 810n/an/an/an/an/a



Universit£ degli Studi di Salerno

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant GST-PRMT1 expressed Escherichia coli BL21 by SPR assay


J Med Chem 55: 9875-90 (2012)


Article DOI: 10.1021/jm301097p
BindingDB Entry DOI: 10.7270/Q2445NM2
More data for this
Ligand-Target Pair
RmtA


(Emericella nidulans)
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 3.38E+4n/an/an/an/an/an/a



Albert-Ludwigs-University of Freiburg

Curated by ChEMBL


Assay Description
Inhibition of Aspergillus nidulans RmtA by TRF assay


J Med Chem 50: 2319-25 (2007)


Article DOI: 10.1021/jm061250e
BindingDB Entry DOI: 10.7270/Q2862H8Q
More data for this
Ligand-Target Pair