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Compile Data Set for Download or QSAR

Found 24 hits Enz. Inhib. hit(s) with all data for entry = 50000312   
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


(Rattus norvegicus)
BDBM50243294
PNG
(CHEMBL4094513)
Show SMILES CN(CCN)Cc1ccccc1Sc1ccccc1Cl
Show InChI InChI=1S/C16H19ClN2S/c1-19(11-10-18)12-13-6-2-4-8-15(13)20-16-9-5-3-7-14(16)17/h2-9H,10-12,18H2,1H3
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n/an/a 1.10n/an/an/an/an/an/a



Zhejiang Sci-Tech University

Curated by ChEMBL


Assay Description
Inhibition of rat His-tagged PRMT1 (11 to 353 residues) expressed in Escherichia coli BL21(DE3) incubated for 15 mins followed by substrate addition ...


J Med Chem 60: 8888-8905 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01134
BindingDB Entry DOI: 10.7270/Q27D2XHK
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 8


(Homo sapiens (Human))
BDBM50243294
PNG
(CHEMBL4094513)
Show SMILES CN(CCN)Cc1ccccc1Sc1ccccc1Cl
Show InChI InChI=1S/C16H19ClN2S/c1-19(11-10-18)12-13-6-2-4-8-15(13)20-16-9-5-3-7-14(16)17/h2-9H,10-12,18H2,1H3
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n/an/a 1.10n/an/an/an/an/an/a



Zhejiang Sci-Tech University

Curated by ChEMBL


Assay Description
Inhibition of PRMT8 (unknown origin) incubated for 15 mins followed by substrate addition measured after 60 mins by AlphaLisa method


J Med Chem 60: 8888-8905 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01134
BindingDB Entry DOI: 10.7270/Q27D2XHK
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 6


(Homo sapiens (Human))
BDBM50243294
PNG
(CHEMBL4094513)
Show SMILES CN(CCN)Cc1ccccc1Sc1ccccc1Cl
Show InChI InChI=1S/C16H19ClN2S/c1-19(11-10-18)12-13-6-2-4-8-15(13)20-16-9-5-3-7-14(16)17/h2-9H,10-12,18H2,1H3
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n/an/a 1.20n/an/an/an/an/an/a



Zhejiang Sci-Tech University

Curated by ChEMBL


Assay Description
Inhibition of PRMT6 (unknown origin) incubated for 15 mins followed by substrate addition measured after 60 mins by AlphaLisa method


J Med Chem 60: 8888-8905 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01134
BindingDB Entry DOI: 10.7270/Q27D2XHK
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 1


(Rattus norvegicus)
BDBM50243294
PNG
(CHEMBL4094513)
Show SMILES CN(CCN)Cc1ccccc1Sc1ccccc1Cl
Show InChI InChI=1S/C16H19ClN2S/c1-19(11-10-18)12-13-6-2-4-8-15(13)20-16-9-5-3-7-14(16)17/h2-9H,10-12,18H2,1H3
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n/an/a 5.30n/an/an/an/an/an/a



Zhejiang Sci-Tech University

Curated by ChEMBL


Assay Description
Inhibition of rat His-tagged PRMT1 (11 to 353 residues) expressed in Escherichia coli BL21(DE3) using biotinylated H4 peptide (1 to 21 residues) as s...


J Med Chem 60: 8888-8905 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01134
BindingDB Entry DOI: 10.7270/Q27D2XHK
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 1


(Rattus norvegicus)
BDBM50243295
PNG
(CHEMBL4084293)
Show SMILES CNCCN(C)Cc1ccccc1Sc1ccccc1Cl
Show InChI InChI=1S/C17H21ClN2S/c1-19-11-12-20(2)13-14-7-3-5-9-16(14)21-17-10-6-4-8-15(17)18/h3-10,19H,11-13H2,1-2H3
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n/an/a 6n/an/an/an/an/an/a



Zhejiang Sci-Tech University

Curated by ChEMBL


Assay Description
Inhibition of rat His-tagged PRMT1 (11 to 353 residues) expressed in Escherichia coli BL21(DE3) using biotinylated H4 peptide (1 to 21 residues) as s...


J Med Chem 60: 8888-8905 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01134
BindingDB Entry DOI: 10.7270/Q27D2XHK
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 3


(Homo sapiens)
BDBM50243294
PNG
(CHEMBL4094513)
Show SMILES CN(CCN)Cc1ccccc1Sc1ccccc1Cl
Show InChI InChI=1S/C16H19ClN2S/c1-19(11-10-18)12-13-6-2-4-8-15(13)20-16-9-5-3-7-14(16)17/h2-9H,10-12,18H2,1H3
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n/an/a 22n/an/an/an/an/an/a



Zhejiang Sci-Tech University

Curated by ChEMBL


Assay Description
Inhibition of PRMT3 (unknown origin) incubated for 15 mins followed by substrate addition measured after 60 mins by AlphaLisa method


J Med Chem 60: 8888-8905 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01134
BindingDB Entry DOI: 10.7270/Q27D2XHK
More data for this
Ligand-Target Pair
Histone-arginine methyltransferase CARM1


(Homo sapiens (Human))
BDBM50243294
PNG
(CHEMBL4094513)
Show SMILES CN(CCN)Cc1ccccc1Sc1ccccc1Cl
Show InChI InChI=1S/C16H19ClN2S/c1-19(11-10-18)12-13-6-2-4-8-15(13)20-16-9-5-3-7-14(16)17/h2-9H,10-12,18H2,1H3
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n/an/a 63n/an/an/an/an/an/a



Zhejiang Sci-Tech University

Curated by ChEMBL


Assay Description
Inhibition of PRMT4 (unknown origin) incubated for 15 mins followed by substrate addition measured after 60 mins by AlphaLisa method


J Med Chem 60: 8888-8905 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01134
BindingDB Entry DOI: 10.7270/Q27D2XHK
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 1


(Rattus norvegicus)
BDBM50245903
PNG
(CHEMBL4073964)
Show SMILES CN(C)CCN(C)Cc1ccccc1Sc1ccccc1Cl
Show InChI InChI=1S/C18H23ClN2S/c1-20(2)12-13-21(3)14-15-8-4-6-10-17(15)22-18-11-7-5-9-16(18)19/h4-11H,12-14H2,1-3H3
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n/an/a 390n/an/an/an/an/an/a



Zhejiang Sci-Tech University

Curated by ChEMBL


Assay Description
Inhibition of rat His-tagged PRMT1 (11 to 353 residues) expressed in Escherichia coli BL21(DE3) using biotinylated H4 peptide (1 to 21 residues) as s...


J Med Chem 60: 8888-8905 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01134
BindingDB Entry DOI: 10.7270/Q27D2XHK
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 1


(Rattus norvegicus)
BDBM50245919
PNG
(CHEMBL4097780)
Show SMILES CN(C)CCN(C)Cc1ccccc1Sc1ccccc1F
Show InChI InChI=1S/C18H23FN2S/c1-20(2)12-13-21(3)14-15-8-4-6-10-17(15)22-18-11-7-5-9-16(18)19/h4-11H,12-14H2,1-3H3
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n/an/a 710n/an/an/an/an/an/a



Zhejiang Sci-Tech University

Curated by ChEMBL


Assay Description
Inhibition of rat His-tagged PRMT1 (11 to 353 residues) expressed in Escherichia coli BL21(DE3) using biotinylated H4 peptide (1 to 21 residues) as s...


J Med Chem 60: 8888-8905 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01134
BindingDB Entry DOI: 10.7270/Q27D2XHK
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 1


(Rattus norvegicus)
BDBM50245959
PNG
(CHEMBL1617447)
Show SMILES CN(C)CCN(C)Cc1ccccc1Sc1cccc2ccccc12
Show InChI InChI=1S/C22H26N2S/c1-23(2)15-16-24(3)17-19-10-5-7-13-21(19)25-22-14-8-11-18-9-4-6-12-20(18)22/h4-14H,15-17H2,1-3H3
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n/an/a 3.00E+3n/an/an/an/an/an/a



Zhejiang Sci-Tech University

Curated by ChEMBL


Assay Description
Inhibition of rat His-tagged PRMT1 (11 to 353 residues) expressed in Escherichia coli BL21(DE3) using biotinylated H4 peptide (1 to 21 residues) as s...


J Med Chem 60: 8888-8905 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01134
BindingDB Entry DOI: 10.7270/Q27D2XHK
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 1


(Rattus norvegicus)
BDBM50245921
PNG
(CHEMBL4087631)
Show SMILES CN(C)CCN(C)Cc1ccccc1Sc1ccccc1
Show InChI InChI=1S/C18H24N2S/c1-19(2)13-14-20(3)15-16-9-7-8-12-18(16)21-17-10-5-4-6-11-17/h4-12H,13-15H2,1-3H3
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n/an/a 3.60E+3n/an/an/an/an/an/a



Zhejiang Sci-Tech University

Curated by ChEMBL


Assay Description
Inhibition of rat His-tagged PRMT1 (11 to 353 residues) expressed in Escherichia coli BL21(DE3) using biotinylated H4 peptide (1 to 21 residues) as s...


J Med Chem 60: 8888-8905 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01134
BindingDB Entry DOI: 10.7270/Q27D2XHK
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 1


(Rattus norvegicus)
BDBM50245995
PNG
(CHEMBL4078812)
Show SMILES CN(C)CCNCc1ccccc1Sc1cccc2ccccc12
Show InChI InChI=1S/C21H24N2S/c1-23(2)15-14-22-16-18-9-4-6-12-20(18)24-21-13-7-10-17-8-3-5-11-19(17)21/h3-13,22H,14-16H2,1-2H3
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n/an/a 3.40E+4n/an/an/an/an/an/a



Zhejiang Sci-Tech University

Curated by ChEMBL


Assay Description
Inhibition of rat His-tagged PRMT1 (11 to 353 residues) expressed in Escherichia coli BL21(DE3) using biotinylated H4 peptide (1 to 21 residues) as s...


J Med Chem 60: 8888-8905 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01134
BindingDB Entry DOI: 10.7270/Q27D2XHK
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 1


(Rattus norvegicus)
BDBM50245920
PNG
(CHEMBL4079756)
Show SMILES CN(C)CCNCc1ccccc1Sc1ccccc1F
Show InChI InChI=1S/C17H21FN2S/c1-20(2)12-11-19-13-14-7-3-5-9-16(14)21-17-10-6-4-8-15(17)18/h3-10,19H,11-13H2,1-2H3
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n/an/a 4.50E+4n/an/an/an/an/an/a



Zhejiang Sci-Tech University

Curated by ChEMBL


Assay Description
Inhibition of rat His-tagged PRMT1 (11 to 353 residues) expressed in Escherichia coli BL21(DE3) using biotinylated H4 peptide (1 to 21 residues) as s...


J Med Chem 60: 8888-8905 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01134
BindingDB Entry DOI: 10.7270/Q27D2XHK
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 1


(Rattus norvegicus)
BDBM50245972
PNG
(CHEMBL4077690)
Show SMILES Cc1ccc(cc1)-c1cc(CC(=O)c2c(O)cc(O)cc2O)n[nH]1
Show InChI InChI=1S/C18H16N2O4/c1-10-2-4-11(5-3-10)14-6-12(19-20-14)7-15(22)18-16(23)8-13(21)9-17(18)24/h2-6,8-9,21,23-24H,7H2,1H3,(H,19,20)
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n/an/a 4.90E+4n/an/an/an/an/an/a



Zhejiang Sci-Tech University

Curated by ChEMBL


Assay Description
Inhibition of rat His-tagged PRMT1 (11 to 353 residues) expressed in Escherichia coli BL21(DE3) using biotinylated H4 peptide (1 to 21 residues) as s...


J Med Chem 60: 8888-8905 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01134
BindingDB Entry DOI: 10.7270/Q27D2XHK
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 1


(Rattus norvegicus)
BDBM50245952
PNG
(CHEMBL4095331)
Show SMILES CN(C)CCNC(=O)c1ccccc1Sc1ccccc1
Show InChI InChI=1S/C17H20N2OS/c1-19(2)13-12-18-17(20)15-10-6-7-11-16(15)21-14-8-4-3-5-9-14/h3-11H,12-13H2,1-2H3,(H,18,20)
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n/an/a>5.00E+4n/an/an/an/an/an/a



Zhejiang Sci-Tech University

Curated by ChEMBL


Assay Description
Inhibition of rat His-tagged PRMT1 (11 to 353 residues) expressed in Escherichia coli BL21(DE3) using biotinylated H4 peptide (1 to 21 residues) as s...


J Med Chem 60: 8888-8905 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01134
BindingDB Entry DOI: 10.7270/Q27D2XHK
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 1


(Rattus norvegicus)
BDBM50245918
PNG
(CHEMBL4091931)
Show SMILES CN(C)CCNC(=O)c1ccccc1Sc1ccccc1Cl
Show InChI InChI=1S/C17H19ClN2OS/c1-20(2)12-11-19-17(21)13-7-3-5-9-15(13)22-16-10-6-4-8-14(16)18/h3-10H,11-12H2,1-2H3,(H,19,21)
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n/an/a>5.00E+4n/an/an/an/an/an/a



Zhejiang Sci-Tech University

Curated by ChEMBL


Assay Description
Inhibition of rat His-tagged PRMT1 (11 to 353 residues) expressed in Escherichia coli BL21(DE3) using biotinylated H4 peptide (1 to 21 residues) as s...


J Med Chem 60: 8888-8905 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01134
BindingDB Entry DOI: 10.7270/Q27D2XHK
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 1


(Rattus norvegicus)
BDBM50245922
PNG
(CHEMBL4067925)
Show SMILES CN(C)CCNCc1ccccc1Sc1ccccc1
Show InChI InChI=1S/C17H22N2S/c1-19(2)13-12-18-14-15-8-6-7-11-17(15)20-16-9-4-3-5-10-16/h3-11,18H,12-14H2,1-2H3
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n/an/a>5.00E+4n/an/an/an/an/an/a



Zhejiang Sci-Tech University

Curated by ChEMBL


Assay Description
Inhibition of rat His-tagged PRMT1 (11 to 353 residues) expressed in Escherichia coli BL21(DE3) using biotinylated H4 peptide (1 to 21 residues) as s...


J Med Chem 60: 8888-8905 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01134
BindingDB Entry DOI: 10.7270/Q27D2XHK
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 1


(Rattus norvegicus)
BDBM50245957
PNG
(CHEMBL4101956)
Show SMILES CCOC(=O)c1[n+]2CCc3ccccc3-c2cc2c3ccccc3c3ccccc3c12
Show InChI InChI=1S/C28H22NO2/c1-2-31-28(30)27-26-23-14-8-7-12-21(23)20-11-5-6-13-22(20)24(26)17-25-19-10-4-3-9-18(19)15-16-29(25)27/h3-14,17H,2,15-16H2,1H3/q+1
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n/an/a 5.30E+4n/an/an/an/an/an/a



Zhejiang Sci-Tech University

Curated by ChEMBL


Assay Description
Inhibition of rat His-tagged PRMT1 (11 to 353 residues) expressed in Escherichia coli BL21(DE3) using biotinylated H4 peptide (1 to 21 residues) as s...


J Med Chem 60: 8888-8905 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01134
BindingDB Entry DOI: 10.7270/Q27D2XHK
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 1


(Rattus norvegicus)
BDBM50245973
PNG
(CHEMBL4075875)
Show SMILES CN(C)CCNCc1ccccc1Sc1ccccc1Cl
Show InChI InChI=1S/C17H21ClN2S/c1-20(2)12-11-19-13-14-7-3-5-9-16(14)21-17-10-6-4-8-15(17)18/h3-10,19H,11-13H2,1-2H3
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n/an/a 5.40E+4n/an/an/an/an/an/a



Zhejiang Sci-Tech University

Curated by ChEMBL


Assay Description
Inhibition of rat His-tagged PRMT1 (11 to 353 residues) expressed in Escherichia coli BL21(DE3) using biotinylated H4 peptide (1 to 21 residues) as s...


J Med Chem 60: 8888-8905 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01134
BindingDB Entry DOI: 10.7270/Q27D2XHK
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 1


(Rattus norvegicus)
BDBM50245958
PNG
(CHEMBL1625601)
Show SMILES NS(=O)(=O)c1ccc(CCNCc2ccc(OCC=C)cc2)cc1
Show InChI InChI=1S/C18H22N2O3S/c1-2-13-23-17-7-3-16(4-8-17)14-20-12-11-15-5-9-18(10-6-15)24(19,21)22/h2-10,20H,1,11-14H2,(H2,19,21,22)
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n/an/a 8.50E+4n/an/an/an/an/an/a



Zhejiang Sci-Tech University

Curated by ChEMBL


Assay Description
Inhibition of rat His-tagged PRMT1 (11 to 353 residues) expressed in Escherichia coli BL21(DE3) using biotinylated H4 peptide (1 to 21 residues) as s...


J Med Chem 60: 8888-8905 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01134
BindingDB Entry DOI: 10.7270/Q27D2XHK
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM50243294
PNG
(CHEMBL4094513)
Show SMILES CN(CCN)Cc1ccccc1Sc1ccccc1Cl
Show InChI InChI=1S/C16H19ClN2S/c1-19(11-10-18)12-13-6-2-4-8-15(13)20-16-9-5-3-7-14(16)17/h2-9H,10-12,18H2,1H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



Zhejiang Sci-Tech University

Curated by ChEMBL


Assay Description
Inhibition of PRMT5 (unknown origin) incubated for 15 mins followed by substrate addition measured after 60 mins by AlphaLisa method


J Med Chem 60: 8888-8905 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01134
BindingDB Entry DOI: 10.7270/Q27D2XHK
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 1


(Rattus norvegicus)
BDBM50245971
PNG
(CHEMBL4060160)
Show SMILES C(NCc1cccc(OCc2ccccc2)c1)C1CCNCC1
Show InChI InChI=1S/C20H26N2O/c1-2-5-18(6-3-1)16-23-20-8-4-7-19(13-20)15-22-14-17-9-11-21-12-10-17/h1-8,13,17,21-22H,9-12,14-16H2
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n/an/a 1.47E+5n/an/an/an/an/an/a



Zhejiang Sci-Tech University

Curated by ChEMBL


Assay Description
Inhibition of rat His-tagged PRMT1 (11 to 353 residues) expressed in Escherichia coli BL21(DE3) using biotinylated H4 peptide (1 to 21 residues) as s...


J Med Chem 60: 8888-8905 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01134
BindingDB Entry DOI: 10.7270/Q27D2XHK
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 1


(Rattus norvegicus)
BDBM50245956
PNG
(CHEMBL4103085)
Show SMILES CN(C)CCNC(=O)c1ccccc1Sc1cccc2ccccc12
Show InChI InChI=1S/C21H22N2OS/c1-23(2)15-14-22-21(24)18-11-5-6-12-20(18)25-19-13-7-9-16-8-3-4-10-17(16)19/h3-13H,14-15H2,1-2H3,(H,22,24)
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n/an/a>2.00E+5n/an/an/an/an/an/a



Zhejiang Sci-Tech University

Curated by ChEMBL


Assay Description
Inhibition of rat His-tagged PRMT1 (11 to 353 residues) expressed in Escherichia coli BL21(DE3) using biotinylated H4 peptide (1 to 21 residues) as s...


J Med Chem 60: 8888-8905 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01134
BindingDB Entry DOI: 10.7270/Q27D2XHK
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 1


(Rattus norvegicus)
BDBM50245994
PNG
(CHEMBL4105514)
Show SMILES CN(C)CCNC(=O)c1ccccc1Sc1ccccc1F
Show InChI InChI=1S/C17H19FN2OS/c1-20(2)12-11-19-17(21)13-7-3-5-9-15(13)22-16-10-6-4-8-14(16)18/h3-10H,11-12H2,1-2H3,(H,19,21)
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n/an/a>2.00E+5n/an/an/an/an/an/a



Zhejiang Sci-Tech University

Curated by ChEMBL


Assay Description
Inhibition of rat His-tagged PRMT1 (11 to 353 residues) expressed in Escherichia coli BL21(DE3) using biotinylated H4 peptide (1 to 21 residues) as s...


J Med Chem 60: 8888-8905 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01134
BindingDB Entry DOI: 10.7270/Q27D2XHK
More data for this
Ligand-Target Pair