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PubMed code 26428871

Compile data set for download or QSAR
Found 11 hits of Enzyme Inhibition Constant Data   
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 [11-371]


(Homo sapiens (Human))		BDBM50130929
PNG
(CHEMBL3633189)
Show SMILES NC(=N)c1ccc(Nc2ncnc(Nc3ccc(cc3)C#N)c2[N+]([O-])=O)cc1
Show InChI InChI=1S/C18H14N8O2/c19-9-11-1-5-13(6-2-11)24-17-15(26(27)28)18(23-10-22-17)25-14-7-3-12(4-8-14)16(20)21/h1-8,10H,(H3,20,21)(H2,22,23,24,25)
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 1.70E+3n/an/an/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of [3H]-U-69,593 binding to Opioid receptor kappa 1

Bioorg Med Chem Lett 25: 5449-53 (2015)


Article DOI: 10.1016/j.bmcl.2015.06.095
BindingDB Entry DOI: 10.7270/Q2R2136F
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 1 [11-371]


(Homo sapiens (Human))		BDBM50009672
PNG
(AdoHcy | CHEMBL418052 | S-(5'-adenosyl)-L-homocyst...)
Show SMILES N[C@@H](CCSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)C(O)=O
Show InChI InChI=1S/C14H20N6O5S/c15-6(14(23)24)1-2-26-3-7-9(21)10(22)13(25-7)20-5-19-8-11(16)17-4-18-12(8)20/h4-7,9-10,13,21-22H,1-3,15H2,(H,23,24)(H2,16,17,18)/t6-,7+,9+,10+,13+/m0/s1
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n/an/a 500n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of PRMT1 (unknown origin) using biotinylated histone H4-derived peptide as substrate after 60 mins by AlphaLISA assay

Bioorg Med Chem Lett 25: 5449-53 (2015)


Article DOI: 10.1016/j.bmcl.2015.06.095
BindingDB Entry DOI: 10.7270/Q2R2136F
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Protein arginine N-methyltransferase 1 [11-371]


(Homo sapiens (Human))		BDBM50130929
PNG
(CHEMBL3633189)
Show SMILES NC(=N)c1ccc(Nc2ncnc(Nc3ccc(cc3)C#N)c2[N+]([O-])=O)cc1
Show InChI InChI=1S/C18H14N8O2/c19-9-11-1-5-13(6-2-11)24-17-15(26(27)28)18(23-10-22-17)25-14-7-3-12(4-8-14)16(20)21/h1-8,10H,(H3,20,21)(H2,22,23,24,25)
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n/an/a 2.00E+3n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of PRMT1 (unknown origin) using biotinylated histone H4-derived peptide as substrate after 60 mins by AlphaLISA assay

Bioorg Med Chem Lett 25: 5449-53 (2015)


Article DOI: 10.1016/j.bmcl.2015.06.095
BindingDB Entry DOI: 10.7270/Q2R2136F
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 1 [11-371]


(Homo sapiens (Human))		BDBM50130932
PNG
(CHEMBL3633187)
Show SMILES NC(=N)c1ccc(Nc2ncnc(Nc3ccc(cc3)C(N)=O)c2[N+]([O-])=O)cc1
Show InChI InChI=1S/C18H16N8O3/c19-15(20)10-1-5-12(6-2-10)24-17-14(26(28)29)18(23-9-22-17)25-13-7-3-11(4-8-13)16(21)27/h1-9H,(H3,19,20)(H2,21,27)(H2,22,23,24,25)
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n/an/a 9.30E+3n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of PRMT1 (unknown origin) using biotinylated histone H4-derived peptide as substrate after 60 mins by AlphaLISA assay

Bioorg Med Chem Lett 25: 5449-53 (2015)


Article DOI: 10.1016/j.bmcl.2015.06.095
BindingDB Entry DOI: 10.7270/Q2R2136F
More data for this
Ligand-Target Pair
Histone-arginine methyltransferase CARM1


(Homo sapiens (Human))		BDBM50130929
PNG
(CHEMBL3633189)
Show SMILES NC(=N)c1ccc(Nc2ncnc(Nc3ccc(cc3)C#N)c2[N+]([O-])=O)cc1
Show InChI InChI=1S/C18H14N8O2/c19-9-11-1-5-13(6-2-11)24-17-15(26(27)28)18(23-10-22-17)25-14-7-3-12(4-8-14)16(20)21/h1-8,10H,(H3,20,21)(H2,22,23,24,25)
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n/an/a 1.00E+4n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of PRMT4 (unknown origin) using biotinylated histone H4-derived peptide as substrate after 60 mins by AlphaLISA assay

Bioorg Med Chem Lett 25: 5449-53 (2015)


Article DOI: 10.1016/j.bmcl.2015.06.095
BindingDB Entry DOI: 10.7270/Q2R2136F
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 1 [11-371]


(Homo sapiens (Human))		BDBM50130931
PNG
(CHEMBL3633188)
Show SMILES CC(C)(C)OC(=O)Nc1ccc(Nc2ncnc(Nc3ccc(cc3)C(N)=N)c2[N+]([O-])=O)cc1
Show InChI InChI=1S/C22H24N8O4/c1-22(2,3)34-21(31)29-16-10-8-15(9-11-16)28-20-17(30(32)33)19(25-12-26-20)27-14-6-4-13(5-7-14)18(23)24/h4-12H,1-3H3,(H3,23,24)(H,29,31)(H2,25,26,27,28)
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n/an/a 1.30E+4n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of PRMT1 (unknown origin) using biotinylated histone H4-derived peptide as substrate after 60 mins by AlphaLISA assay

Bioorg Med Chem Lett 25: 5449-53 (2015)


Article DOI: 10.1016/j.bmcl.2015.06.095
BindingDB Entry DOI: 10.7270/Q2R2136F
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 1 [11-371]


(Homo sapiens (Human))		BDBM50446401
PNG
(CHEMBL3109656)
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)/p-2
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n/an/a 2.20E+4n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of PRMT1 (unknown origin) using biotinylated histone H4-derived peptide as substrate after 60 mins by AlphaLISA assay

Bioorg Med Chem Lett 25: 5449-53 (2015)


Article DOI: 10.1016/j.bmcl.2015.06.095
BindingDB Entry DOI: 10.7270/Q2R2136F
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 1 [11-371]


(Homo sapiens (Human))		BDBM50130930
PNG
(CHEMBL3633190)
Show SMILES NC(=N)c1ccc(Nc2ncnc(Nc3ccc4OCOc4c3)c2[N+]([O-])=O)cc1
Show InChI InChI=1S/C18H15N7O4/c19-16(20)10-1-3-11(4-2-10)23-17-15(25(26)27)18(22-8-21-17)24-12-5-6-13-14(7-12)29-9-28-13/h1-8H,9H2,(H3,19,20)(H2,21,22,23,24)
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n/an/a 2.50E+4n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of PRMT1 (unknown origin) using biotinylated histone H4-derived peptide as substrate after 60 mins by AlphaLISA assay

Bioorg Med Chem Lett 25: 5449-53 (2015)


Article DOI: 10.1016/j.bmcl.2015.06.095
BindingDB Entry DOI: 10.7270/Q2R2136F
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 1 [11-371]


(Homo sapiens (Human))		BDBM50130933
PNG
(CHEMBL3633186)
Show SMILES NC(=N)c1ccc(Nc2ncnc(N)c2[N+]([O-])=O)cc1
Show InChI InChI=1S/C11H11N7O2/c12-9(13)6-1-3-7(4-2-6)17-11-8(18(19)20)10(14)15-5-16-11/h1-5H,(H3,12,13)(H3,14,15,16,17)
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n/an/a 3.80E+4n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of PRMT1 (unknown origin) using biotinylated histone H4-derived peptide as substrate after 60 mins by AlphaLISA assay

Bioorg Med Chem Lett 25: 5449-53 (2015)


Article DOI: 10.1016/j.bmcl.2015.06.095
BindingDB Entry DOI: 10.7270/Q2R2136F
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 6


(Homo sapiens (Human))		BDBM50130929
PNG
(CHEMBL3633189)
Show SMILES NC(=N)c1ccc(Nc2ncnc(Nc3ccc(cc3)C#N)c2[N+]([O-])=O)cc1
Show InChI InChI=1S/C18H14N8O2/c19-9-11-1-5-13(6-2-11)24-17-15(26(27)28)18(23-10-22-17)25-14-7-3-12(4-8-14)16(20)21/h1-8,10H,(H3,20,21)(H2,22,23,24,25)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of PRMT6 (unknown origin) using biotinylated histone H4-derived peptide as substrate after 60 mins by AlphaLISA assay

Bioorg Med Chem Lett 25: 5449-53 (2015)


Article DOI: 10.1016/j.bmcl.2015.06.095
BindingDB Entry DOI: 10.7270/Q2R2136F
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))		BDBM50130929
PNG
(CHEMBL3633189)
Show SMILES NC(=N)c1ccc(Nc2ncnc(Nc3ccc(cc3)C#N)c2[N+]([O-])=O)cc1
Show InChI InChI=1S/C18H14N8O2/c19-9-11-1-5-13(6-2-11)24-17-15(26(27)28)18(23-10-22-17)25-14-7-3-12(4-8-14)16(20)21/h1-8,10H,(H3,20,21)(H2,22,23,24,25)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of PRMT5 (unknown origin) using biotinylated histone H4-derived peptide as substrate after 60 mins by AlphaLISA assay

Bioorg Med Chem Lett 25: 5449-53 (2015)


Article DOI: 10.1016/j.bmcl.2015.06.095
BindingDB Entry DOI: 10.7270/Q2R2136F
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%